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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2012-09-12 00:36:39 UTC

Update Date

2023-02-21 17:26:54 UTC

HMDB ID

HMDB0039228

Secondary Accession Numbers

HMDB39228

Metabolite Identification

Common Name

(3-Aminopropoxy)guanidine

Description

(3-Aminopropoxy)guanidine belongs to the class of organic compounds known as guanidines. Guanidines are compounds containing a guanidine moiety, with the general structure (R1R2N)(R3R4N)C=N-R5 (3-Aminopropoxy)guanidine has been detected, but not quantified in, pulses. This could make (3-aminopropoxy)guanidine a potential biomarker for the consumption of these foods. Based on a literature review very few articles have been published on (3-Aminopropoxy)guanidine.

Structure

MOL 3D MOL SDF 3D SDF PDB 3D PDB SMILES InChI

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
g-Guanidinooxypropylamine	HMDB
Guanidinooxypropylamine	HMDB

Chemical Formula

C₄H₁₂N₄O

Average Molecular Weight

132.1643

Monoisotopic Molecular Weight

132.101111026

IUPAC Name

1-(3-aminopropoxy)guanidine

Traditional Name

1-(3-aminopropoxy)guanidine

CAS Registry Number

97091-01-5

SMILES

NCCCONC(N)=N

InChI Identifier

InChI=1S/C4H12N4O/c5-2-1-3-9-8-4(6)7/h1-3,5H2,(H4,6,7,8)

InChI Key

JGMONYLSKFKAJN-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as guanidines. Guanidines are compounds containing a guanidine moiety, with the general structure (R1R2N)(R3R4N)C=N-R5.

Kingdom

Organic compounds

Super Class

Organic nitrogen compounds

Class

Organonitrogen compounds

Sub Class

Guanidines

Direct Parent

Guanidines

Alternative Parents

Substituents

Guanidine
Organic oxygen compound
Organopnictogen compound
Hydrocarbon derivative
Primary amine
Organooxygen compound
Primary aliphatic amine
Amine
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

Not Available

Ontology

Physiological effect

Not Available

Disposition

Biological location

Cellular substructure

Extracellular (HMDB: HMDB0039228)
Cytoplasm (HMDB: HMDB0039228)

Route of exposure

Enteral

Ingestion (HMDB: HMDB0039228)

Source

Exogenous

Exogenous (HMDB: HMDB0039228)

Food

Food (HMDB: HMDB0039228)

Pulse

Pulses (FooDB: FOOD00867)

Endogenous

Plant

Fabaceae (HMDB: HMDB0039228)

Process

Not Available

Role

Biological role

Nutrient (HMDB: HMDB0039228)

Physical Properties

State

Not Available

Experimental Molecular Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
Water Solubility	3.57 g/L	ALOGPS
logP	-1.5	ALOGPS
logP	-1.5	ChemAxon
logS	-1.6	ALOGPS
pKa (Strongest Basic)	10.57	ChemAxon
Physiological Charge	2	ChemAxon
Hydrogen Acceptor Count	5	ChemAxon
Hydrogen Donor Count	4	ChemAxon
Polar Surface Area	97.15 Å²	ChemAxon
Rotatable Bond Count	4	ChemAxon
Refractivity	55.41 m³·mol⁻¹	ChemAxon
Polarizability	14.12 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DarkChem	[M+H]+	127.315	31661259
DarkChem	[M-H]-	123.169	31661259
DeepCCS	[M+H]+	132.609	30932474
DeepCCS	[M-H]-	130.615	30932474
DeepCCS	[M-2H]-	166.196	30932474
DeepCCS	[M+Na]+	140.836	30932474
AllCCS	[M+H]+	130.7	32859911
AllCCS	[M+H-H2O]+	126.6	32859911
AllCCS	[M+NH4]+	134.4	32859911
AllCCS	[M+Na]+	135.5	32859911
AllCCS	[M-H]-	128.4	32859911
AllCCS	[M+Na-2H]-	131.2	32859911
AllCCS	[M+HCOO]-	134.3	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
(3-Aminopropoxy)guanidine	NCCCONC(N)=N	2386.5	Standard polar	33892256
(3-Aminopropoxy)guanidine	NCCCONC(N)=N	1492.8	Standard non polar	33892256
(3-Aminopropoxy)guanidine	NCCCONC(N)=N	1600.2	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
(3-Aminopropoxy)guanidine,1TMS,isomer #1	C[Si](C)(C)NCCCONC(=N)N	1773.3	Semi standard non polar	33892256
(3-Aminopropoxy)guanidine,1TMS,isomer #1	C[Si](C)(C)NCCCONC(=N)N	1475.3	Standard non polar	33892256
(3-Aminopropoxy)guanidine,1TMS,isomer #2	C[Si](C)(C)NC(=N)NOCCCN	1805.7	Semi standard non polar	33892256
(3-Aminopropoxy)guanidine,1TMS,isomer #2	C[Si](C)(C)NC(=N)NOCCCN	1494.4	Standard non polar	33892256
(3-Aminopropoxy)guanidine,1TMS,isomer #3	C[Si](C)(C)N(OCCCN)C(=N)N	1719.4	Semi standard non polar	33892256
(3-Aminopropoxy)guanidine,1TMS,isomer #3	C[Si](C)(C)N(OCCCN)C(=N)N	1465.4	Standard non polar	33892256
(3-Aminopropoxy)guanidine,1TMS,isomer #4	C[Si](C)(C)N=C(N)NOCCCN	1691.2	Semi standard non polar	33892256
(3-Aminopropoxy)guanidine,1TMS,isomer #4	C[Si](C)(C)N=C(N)NOCCCN	1433.7	Standard non polar	33892256
(3-Aminopropoxy)guanidine,2TMS,isomer #1	C[Si](C)(C)NCCCONC(=N)N[Si](C)(C)C	1938.4	Semi standard non polar	33892256
(3-Aminopropoxy)guanidine,2TMS,isomer #1	C[Si](C)(C)NCCCONC(=N)N[Si](C)(C)C	1647.9	Standard non polar	33892256
(3-Aminopropoxy)guanidine,2TMS,isomer #2	C[Si](C)(C)N(CCCONC(=N)N)[Si](C)(C)C	1967.3	Semi standard non polar	33892256
(3-Aminopropoxy)guanidine,2TMS,isomer #2	C[Si](C)(C)N(CCCONC(=N)N)[Si](C)(C)C	1662.3	Standard non polar	33892256
(3-Aminopropoxy)guanidine,2TMS,isomer #3	C[Si](C)(C)NCCCON(C(=N)N)[Si](C)(C)C	1854.1	Semi standard non polar	33892256
(3-Aminopropoxy)guanidine,2TMS,isomer #3	C[Si](C)(C)NCCCON(C(=N)N)[Si](C)(C)C	1658.5	Standard non polar	33892256
(3-Aminopropoxy)guanidine,2TMS,isomer #4	C[Si](C)(C)N=C(N)NOCCCN[Si](C)(C)C	1807.8	Semi standard non polar	33892256
(3-Aminopropoxy)guanidine,2TMS,isomer #4	C[Si](C)(C)N=C(N)NOCCCN[Si](C)(C)C	1587.1	Standard non polar	33892256
(3-Aminopropoxy)guanidine,2TMS,isomer #5	C[Si](C)(C)N(C(=N)NOCCCN)[Si](C)(C)C	1850.0	Semi standard non polar	33892256
(3-Aminopropoxy)guanidine,2TMS,isomer #5	C[Si](C)(C)N(C(=N)NOCCCN)[Si](C)(C)C	1716.7	Standard non polar	33892256
(3-Aminopropoxy)guanidine,2TMS,isomer #6	C[Si](C)(C)N=C(NOCCCN)N[Si](C)(C)C	1786.3	Semi standard non polar	33892256
(3-Aminopropoxy)guanidine,2TMS,isomer #6	C[Si](C)(C)N=C(NOCCCN)N[Si](C)(C)C	1546.3	Standard non polar	33892256
(3-Aminopropoxy)guanidine,2TMS,isomer #7	C[Si](C)(C)NC(=N)N(OCCCN)[Si](C)(C)C	1805.3	Semi standard non polar	33892256
(3-Aminopropoxy)guanidine,2TMS,isomer #7	C[Si](C)(C)NC(=N)N(OCCCN)[Si](C)(C)C	1657.6	Standard non polar	33892256
(3-Aminopropoxy)guanidine,2TMS,isomer #8	C[Si](C)(C)N=C(N)N(OCCCN)[Si](C)(C)C	1726.1	Semi standard non polar	33892256
(3-Aminopropoxy)guanidine,2TMS,isomer #8	C[Si](C)(C)N=C(N)N(OCCCN)[Si](C)(C)C	1581.0	Standard non polar	33892256
(3-Aminopropoxy)guanidine,3TMS,isomer #1	C[Si](C)(C)NC(=N)NOCCCN([Si](C)(C)C)[Si](C)(C)C	2120.4	Semi standard non polar	33892256
(3-Aminopropoxy)guanidine,3TMS,isomer #1	C[Si](C)(C)NC(=N)NOCCCN([Si](C)(C)C)[Si](C)(C)C	1760.4	Standard non polar	33892256
(3-Aminopropoxy)guanidine,3TMS,isomer #10	C[Si](C)(C)N=C(N[Si](C)(C)C)N(OCCCN)[Si](C)(C)C	1771.2	Semi standard non polar	33892256
(3-Aminopropoxy)guanidine,3TMS,isomer #10	C[Si](C)(C)N=C(N[Si](C)(C)C)N(OCCCN)[Si](C)(C)C	1659.7	Standard non polar	33892256
(3-Aminopropoxy)guanidine,3TMS,isomer #2	C[Si](C)(C)NCCCON(C(=N)N[Si](C)(C)C)[Si](C)(C)C	1925.5	Semi standard non polar	33892256
(3-Aminopropoxy)guanidine,3TMS,isomer #2	C[Si](C)(C)NCCCON(C(=N)N[Si](C)(C)C)[Si](C)(C)C	1801.0	Standard non polar	33892256
(3-Aminopropoxy)guanidine,3TMS,isomer #3	C[Si](C)(C)N=C(NOCCCN[Si](C)(C)C)N[Si](C)(C)C	1901.3	Semi standard non polar	33892256
(3-Aminopropoxy)guanidine,3TMS,isomer #3	C[Si](C)(C)N=C(NOCCCN[Si](C)(C)C)N[Si](C)(C)C	1595.7	Standard non polar	33892256
(3-Aminopropoxy)guanidine,3TMS,isomer #4	C[Si](C)(C)NCCCONC(=N)N([Si](C)(C)C)[Si](C)(C)C	1949.2	Semi standard non polar	33892256
(3-Aminopropoxy)guanidine,3TMS,isomer #4	C[Si](C)(C)NCCCONC(=N)N([Si](C)(C)C)[Si](C)(C)C	1839.6	Standard non polar	33892256
(3-Aminopropoxy)guanidine,3TMS,isomer #5	C[Si](C)(C)N(OCCCN([Si](C)(C)C)[Si](C)(C)C)C(=N)N	1995.6	Semi standard non polar	33892256
(3-Aminopropoxy)guanidine,3TMS,isomer #5	C[Si](C)(C)N(OCCCN([Si](C)(C)C)[Si](C)(C)C)C(=N)N	1814.9	Standard non polar	33892256
(3-Aminopropoxy)guanidine,3TMS,isomer #6	C[Si](C)(C)N=C(N)NOCCCN([Si](C)(C)C)[Si](C)(C)C	1969.3	Semi standard non polar	33892256
(3-Aminopropoxy)guanidine,3TMS,isomer #6	C[Si](C)(C)N=C(N)NOCCCN([Si](C)(C)C)[Si](C)(C)C	1704.9	Standard non polar	33892256
(3-Aminopropoxy)guanidine,3TMS,isomer #7	C[Si](C)(C)N=C(N)N(OCCCN[Si](C)(C)C)[Si](C)(C)C	1820.0	Semi standard non polar	33892256
(3-Aminopropoxy)guanidine,3TMS,isomer #7	C[Si](C)(C)N=C(N)N(OCCCN[Si](C)(C)C)[Si](C)(C)C	1682.0	Standard non polar	33892256
(3-Aminopropoxy)guanidine,3TMS,isomer #8	C[Si](C)(C)N=C(NOCCCN)N([Si](C)(C)C)[Si](C)(C)C	1824.1	Semi standard non polar	33892256
(3-Aminopropoxy)guanidine,3TMS,isomer #8	C[Si](C)(C)N=C(NOCCCN)N([Si](C)(C)C)[Si](C)(C)C	1716.8	Standard non polar	33892256
(3-Aminopropoxy)guanidine,3TMS,isomer #9	C[Si](C)(C)N(OCCCN)C(=N)N([Si](C)(C)C)[Si](C)(C)C	1802.4	Semi standard non polar	33892256
(3-Aminopropoxy)guanidine,3TMS,isomer #9	C[Si](C)(C)N(OCCCN)C(=N)N([Si](C)(C)C)[Si](C)(C)C	1874.9	Standard non polar	33892256
(3-Aminopropoxy)guanidine,4TMS,isomer #1	C[Si](C)(C)N(CCCONC(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2150.6	Semi standard non polar	33892256
(3-Aminopropoxy)guanidine,4TMS,isomer #1	C[Si](C)(C)N(CCCONC(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	1948.6	Standard non polar	33892256
(3-Aminopropoxy)guanidine,4TMS,isomer #2	C[Si](C)(C)N=C(NOCCCN([Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C	2041.8	Semi standard non polar	33892256
(3-Aminopropoxy)guanidine,4TMS,isomer #2	C[Si](C)(C)N=C(NOCCCN([Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C	1682.8	Standard non polar	33892256
(3-Aminopropoxy)guanidine,4TMS,isomer #3	C[Si](C)(C)NC(=N)N(OCCCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2085.0	Semi standard non polar	33892256
(3-Aminopropoxy)guanidine,4TMS,isomer #3	C[Si](C)(C)NC(=N)N(OCCCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	1918.8	Standard non polar	33892256
(3-Aminopropoxy)guanidine,4TMS,isomer #4	C[Si](C)(C)N=C(N[Si](C)(C)C)N(OCCCN[Si](C)(C)C)[Si](C)(C)C	1871.8	Semi standard non polar	33892256
(3-Aminopropoxy)guanidine,4TMS,isomer #4	C[Si](C)(C)N=C(N[Si](C)(C)C)N(OCCCN[Si](C)(C)C)[Si](C)(C)C	1725.4	Standard non polar	33892256
(3-Aminopropoxy)guanidine,4TMS,isomer #5	C[Si](C)(C)NCCCON(C(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	1914.8	Semi standard non polar	33892256
(3-Aminopropoxy)guanidine,4TMS,isomer #5	C[Si](C)(C)NCCCON(C(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	1985.2	Standard non polar	33892256
(3-Aminopropoxy)guanidine,4TMS,isomer #6	C[Si](C)(C)N=C(NOCCCN[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	1884.9	Semi standard non polar	33892256
(3-Aminopropoxy)guanidine,4TMS,isomer #6	C[Si](C)(C)N=C(NOCCCN[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	1781.1	Standard non polar	33892256
(3-Aminopropoxy)guanidine,4TMS,isomer #7	C[Si](C)(C)N=C(N)N(OCCCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	1974.9	Semi standard non polar	33892256
(3-Aminopropoxy)guanidine,4TMS,isomer #7	C[Si](C)(C)N=C(N)N(OCCCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	1779.8	Standard non polar	33892256
(3-Aminopropoxy)guanidine,4TMS,isomer #8	C[Si](C)(C)N=C(N(OCCCN)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	1835.4	Semi standard non polar	33892256
(3-Aminopropoxy)guanidine,4TMS,isomer #8	C[Si](C)(C)N=C(N(OCCCN)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	1861.6	Standard non polar	33892256
(3-Aminopropoxy)guanidine,5TMS,isomer #1	C[Si](C)(C)N(OCCCN([Si](C)(C)C)[Si](C)(C)C)C(=N)N([Si](C)(C)C)[Si](C)(C)C	2130.0	Semi standard non polar	33892256
(3-Aminopropoxy)guanidine,5TMS,isomer #1	C[Si](C)(C)N(OCCCN([Si](C)(C)C)[Si](C)(C)C)C(=N)N([Si](C)(C)C)[Si](C)(C)C	2100.0	Standard non polar	33892256
(3-Aminopropoxy)guanidine,5TMS,isomer #2	C[Si](C)(C)N=C(NOCCCN([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2120.4	Semi standard non polar	33892256
(3-Aminopropoxy)guanidine,5TMS,isomer #2	C[Si](C)(C)N=C(NOCCCN([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	1859.0	Standard non polar	33892256
(3-Aminopropoxy)guanidine,5TMS,isomer #3	C[Si](C)(C)N=C(N[Si](C)(C)C)N(OCCCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2070.6	Semi standard non polar	33892256
(3-Aminopropoxy)guanidine,5TMS,isomer #3	C[Si](C)(C)N=C(N[Si](C)(C)C)N(OCCCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	1819.6	Standard non polar	33892256
(3-Aminopropoxy)guanidine,5TMS,isomer #4	C[Si](C)(C)N=C(N(OCCCN[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	1906.8	Semi standard non polar	33892256
(3-Aminopropoxy)guanidine,5TMS,isomer #4	C[Si](C)(C)N=C(N(OCCCN[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	1957.0	Standard non polar	33892256
(3-Aminopropoxy)guanidine,6TMS,isomer #1	C[Si](C)(C)N=C(N(OCCCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2191.7	Semi standard non polar	33892256
(3-Aminopropoxy)guanidine,6TMS,isomer #1	C[Si](C)(C)N=C(N(OCCCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2032.2	Standard non polar	33892256
(3-Aminopropoxy)guanidine,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NCCCONC(=N)N	1981.4	Semi standard non polar	33892256
(3-Aminopropoxy)guanidine,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NCCCONC(=N)N	1710.4	Standard non polar	33892256
(3-Aminopropoxy)guanidine,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC(=N)NOCCCN	2017.2	Semi standard non polar	33892256
(3-Aminopropoxy)guanidine,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC(=N)NOCCCN	1699.4	Standard non polar	33892256
(3-Aminopropoxy)guanidine,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)N(OCCCN)C(=N)N	1888.2	Semi standard non polar	33892256
(3-Aminopropoxy)guanidine,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)N(OCCCN)C(=N)N	1663.9	Standard non polar	33892256
(3-Aminopropoxy)guanidine,1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)N=C(N)NOCCCN	1902.4	Semi standard non polar	33892256
(3-Aminopropoxy)guanidine,1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)N=C(N)NOCCCN	1644.8	Standard non polar	33892256
(3-Aminopropoxy)guanidine,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NCCCONC(=N)N[Si](C)(C)C(C)(C)C	2420.5	Semi standard non polar	33892256
(3-Aminopropoxy)guanidine,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NCCCONC(=N)N[Si](C)(C)C(C)(C)C	2010.1	Standard non polar	33892256
(3-Aminopropoxy)guanidine,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)N(CCCONC(=N)N)[Si](C)(C)C(C)(C)C	2336.7	Semi standard non polar	33892256
(3-Aminopropoxy)guanidine,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)N(CCCONC(=N)N)[Si](C)(C)C(C)(C)C	2026.1	Standard non polar	33892256
(3-Aminopropoxy)guanidine,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NCCCON(C(=N)N)[Si](C)(C)C(C)(C)C	2285.4	Semi standard non polar	33892256
(3-Aminopropoxy)guanidine,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NCCCON(C(=N)N)[Si](C)(C)C(C)(C)C	2050.2	Standard non polar	33892256
(3-Aminopropoxy)guanidine,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)N=C(N)NOCCCN[Si](C)(C)C(C)(C)C	2280.1	Semi standard non polar	33892256
(3-Aminopropoxy)guanidine,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)N=C(N)NOCCCN[Si](C)(C)C(C)(C)C	1937.6	Standard non polar	33892256
(3-Aminopropoxy)guanidine,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)N(C(=N)NOCCCN)[Si](C)(C)C(C)(C)C	2226.9	Semi standard non polar	33892256
(3-Aminopropoxy)guanidine,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)N(C(=N)NOCCCN)[Si](C)(C)C(C)(C)C	2073.3	Standard non polar	33892256
(3-Aminopropoxy)guanidine,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)N=C(NOCCCN)N[Si](C)(C)C(C)(C)C	2238.5	Semi standard non polar	33892256
(3-Aminopropoxy)guanidine,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)N=C(NOCCCN)N[Si](C)(C)C(C)(C)C	1867.5	Standard non polar	33892256
(3-Aminopropoxy)guanidine,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NC(=N)N(OCCCN)[Si](C)(C)C(C)(C)C	2218.5	Semi standard non polar	33892256
(3-Aminopropoxy)guanidine,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NC(=N)N(OCCCN)[Si](C)(C)C(C)(C)C	2031.8	Standard non polar	33892256
(3-Aminopropoxy)guanidine,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)N=C(N)N(OCCCN)[Si](C)(C)C(C)(C)C	2152.9	Semi standard non polar	33892256
(3-Aminopropoxy)guanidine,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)N=C(N)N(OCCCN)[Si](C)(C)C(C)(C)C	1939.7	Standard non polar	33892256
(3-Aminopropoxy)guanidine,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC(=N)NOCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2712.1	Semi standard non polar	33892256
(3-Aminopropoxy)guanidine,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC(=N)NOCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2288.4	Standard non polar	33892256
(3-Aminopropoxy)guanidine,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)N=C(N[Si](C)(C)C(C)(C)C)N(OCCCN)[Si](C)(C)C(C)(C)C	2396.3	Semi standard non polar	33892256
(3-Aminopropoxy)guanidine,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)N=C(N[Si](C)(C)C(C)(C)C)N(OCCCN)[Si](C)(C)C(C)(C)C	2115.3	Standard non polar	33892256
(3-Aminopropoxy)guanidine,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NCCCON(C(=N)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2579.2	Semi standard non polar	33892256
(3-Aminopropoxy)guanidine,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NCCCON(C(=N)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2318.3	Standard non polar	33892256
(3-Aminopropoxy)guanidine,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)N=C(NOCCCN[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C	2558.5	Semi standard non polar	33892256
(3-Aminopropoxy)guanidine,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)N=C(NOCCCN[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C	2044.5	Standard non polar	33892256
(3-Aminopropoxy)guanidine,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NCCCONC(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2594.2	Semi standard non polar	33892256
(3-Aminopropoxy)guanidine,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NCCCONC(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2366.2	Standard non polar	33892256
(3-Aminopropoxy)guanidine,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)N(OCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=N)N	2613.0	Semi standard non polar	33892256
(3-Aminopropoxy)guanidine,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)N(OCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=N)N	2344.6	Standard non polar	33892256
(3-Aminopropoxy)guanidine,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)N=C(N)NOCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2579.6	Semi standard non polar	33892256
(3-Aminopropoxy)guanidine,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)N=C(N)NOCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2210.0	Standard non polar	33892256
(3-Aminopropoxy)guanidine,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)N=C(N)N(OCCCN[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2467.9	Semi standard non polar	33892256
(3-Aminopropoxy)guanidine,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)N=C(N)N(OCCCN[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2159.1	Standard non polar	33892256
(3-Aminopropoxy)guanidine,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)N=C(NOCCCN)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2435.9	Semi standard non polar	33892256
(3-Aminopropoxy)guanidine,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)N=C(NOCCCN)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2186.4	Standard non polar	33892256
(3-Aminopropoxy)guanidine,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)N(OCCCN)C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2436.2	Semi standard non polar	33892256
(3-Aminopropoxy)guanidine,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)N(OCCCN)C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2386.0	Standard non polar	33892256
(3-Aminopropoxy)guanidine,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)N(CCCONC(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2926.9	Semi standard non polar	33892256
(3-Aminopropoxy)guanidine,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)N(CCCONC(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2622.1	Standard non polar	33892256
(3-Aminopropoxy)guanidine,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)N=C(NOCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C	2884.5	Semi standard non polar	33892256
(3-Aminopropoxy)guanidine,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)N=C(NOCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C	2355.8	Standard non polar	33892256
(3-Aminopropoxy)guanidine,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC(=N)N(OCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2914.3	Semi standard non polar	33892256
(3-Aminopropoxy)guanidine,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC(=N)N(OCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2568.3	Standard non polar	33892256
(3-Aminopropoxy)guanidine,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)N=C(N[Si](C)(C)C(C)(C)C)N(OCCCN[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2690.2	Semi standard non polar	33892256
(3-Aminopropoxy)guanidine,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)N=C(N[Si](C)(C)C(C)(C)C)N(OCCCN[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2327.1	Standard non polar	33892256
(3-Aminopropoxy)guanidine,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NCCCON(C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2773.8	Semi standard non polar	33892256
(3-Aminopropoxy)guanidine,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NCCCON(C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2654.6	Standard non polar	33892256
(3-Aminopropoxy)guanidine,4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)N=C(NOCCCN[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2748.4	Semi standard non polar	33892256
(3-Aminopropoxy)guanidine,4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)N=C(NOCCCN[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2394.8	Standard non polar	33892256
(3-Aminopropoxy)guanidine,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)N=C(N)N(OCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2814.4	Semi standard non polar	33892256
(3-Aminopropoxy)guanidine,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)N=C(N)N(OCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2459.1	Standard non polar	33892256
(3-Aminopropoxy)guanidine,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)N=C(N(OCCCN)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2659.3	Semi standard non polar	33892256
(3-Aminopropoxy)guanidine,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)N=C(N(OCCCN)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2481.2	Standard non polar	33892256
(3-Aminopropoxy)guanidine,5TBDMS,isomer #1	CC(C)(C)[Si](C)(C)N(OCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3107.2	Semi standard non polar	33892256
(3-Aminopropoxy)guanidine,5TBDMS,isomer #1	CC(C)(C)[Si](C)(C)N(OCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2882.2	Standard non polar	33892256
(3-Aminopropoxy)guanidine,5TBDMS,isomer #2	CC(C)(C)[Si](C)(C)N=C(NOCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3110.4	Semi standard non polar	33892256
(3-Aminopropoxy)guanidine,5TBDMS,isomer #2	CC(C)(C)[Si](C)(C)N=C(NOCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2706.5	Standard non polar	33892256
(3-Aminopropoxy)guanidine,5TBDMS,isomer #3	CC(C)(C)[Si](C)(C)N=C(N[Si](C)(C)C(C)(C)C)N(OCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3076.5	Semi standard non polar	33892256
(3-Aminopropoxy)guanidine,5TBDMS,isomer #3	CC(C)(C)[Si](C)(C)N=C(N[Si](C)(C)C(C)(C)C)N(OCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2651.4	Standard non polar	33892256
(3-Aminopropoxy)guanidine,5TBDMS,isomer #4	CC(C)(C)[Si](C)(C)N=C(N(OCCCN[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2971.4	Semi standard non polar	33892256
(3-Aminopropoxy)guanidine,5TBDMS,isomer #4	CC(C)(C)[Si](C)(C)N=C(N(OCCCN[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2729.7	Standard non polar	33892256
(3-Aminopropoxy)guanidine,6TBDMS,isomer #1	CC(C)(C)[Si](C)(C)N=C(N(OCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3327.5	Semi standard non polar	33892256
(3-Aminopropoxy)guanidine,6TBDMS,isomer #1	CC(C)(C)[Si](C)(C)N=C(N(OCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3021.4	Standard non polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - (3-Aminopropoxy)guanidine GC-MS (Non-derivatized) - 70eV, Positive	splash10-0536-9000000000-beb3ed3382c4fb6e3a3e	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - (3-Aminopropoxy)guanidine GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - (3-Aminopropoxy)guanidine 10V, Positive-QTOF	splash10-0apl-9700000000-acd93a45b4db2a5a39cc	2015-04-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - (3-Aminopropoxy)guanidine 20V, Positive-QTOF	splash10-0a4l-9100000000-42630d9ad8c96d643839	2015-04-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - (3-Aminopropoxy)guanidine 40V, Positive-QTOF	splash10-0006-9000000000-75d0428df48af006a1a2	2015-04-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - (3-Aminopropoxy)guanidine 10V, Negative-QTOF	splash10-001r-9500000000-f6aa7b027a1fcc1e3fa5	2015-04-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - (3-Aminopropoxy)guanidine 20V, Negative-QTOF	splash10-0a4i-9000000000-b4423f029e42ad0e8f2d	2015-04-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - (3-Aminopropoxy)guanidine 40V, Negative-QTOF	splash10-0006-9000000000-b91504b0a5a6ab0122d5	2015-04-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - (3-Aminopropoxy)guanidine 10V, Positive-QTOF	splash10-001i-1900000000-2af1f0cde86d66b9d7d1	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - (3-Aminopropoxy)guanidine 20V, Positive-QTOF	splash10-0adl-9000000000-17e9188ed13cbf292479	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - (3-Aminopropoxy)guanidine 40V, Positive-QTOF	splash10-052f-9000000000-bad65105eee5eb27af69	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - (3-Aminopropoxy)guanidine 10V, Negative-QTOF	splash10-001i-5900000000-89ddb9c8584316de71be	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - (3-Aminopropoxy)guanidine 20V, Negative-QTOF	splash10-0006-9300000000-65fd0b1433ca14d6e9ed	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - (3-Aminopropoxy)guanidine 40V, Negative-QTOF	splash10-0006-9000000000-1c8520c5f7efb1187e43	2021-09-24	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted 1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum

IR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted IR Spectrum	IR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M-H]-)	2023-02-04	FELIX lab	View Spectrum
Predicted IR Spectrum	IR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M+H]+)	2023-02-04	FELIX lab	View Spectrum
Predicted IR Spectrum	IR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M+Na]+)	2023-02-04	FELIX lab	View Spectrum

Biological Properties

Cellular Locations

Cytoplasm
Extracellular

Biospecimen Locations

Not Available

Tissue Locations

Not Available

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Not Available

Abnormal Concentrations

Not Available

Associated Disorders and Diseases

Disease References

None

Associated OMIM IDs

None

External Links

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB018761

KNApSAcK ID

C00054542

Chemspider ID

112164

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

126170

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Not Available

General References

(). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .

Showing metabocard for (3-Aminopropoxy)guanidine (HMDB0039228)

MOL for HMDB0039228 ((3-Aminopropoxy)guanidine)

3D MOL for HMDB0039228 ((3-Aminopropoxy)guanidine)

3D SDF for HMDB0039228 ((3-Aminopropoxy)guanidine)

3D-SDF for HMDB0039228 ((3-Aminopropoxy)guanidine)

PDB for HMDB0039228 ((3-Aminopropoxy)guanidine)

3D PDB for HMDB0039228 ((3-Aminopropoxy)guanidine)

SMILES for HMDB0039228 ((3-Aminopropoxy)guanidine)

INCHI for HMDB0039228 ((3-Aminopropoxy)guanidine)

Structure for HMDB0039228 ((3-Aminopropoxy)guanidine)

3D Structure for HMDB0039228 ((3-Aminopropoxy)guanidine)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra

IR Spectra