HMDB0254551
     RDKit          3D
Methoxyisobutylisonitrile
 19 18  0  0  0  0  0  0  0  0999 V2000
    0.3101   -3.0682    0.9934 C   0  0  0  0  0  3  0  0  0  0  0  0
    0.3823   -1.9883    0.5943 N   0  0  0  0  0  4  0  0  0  0  0  0
    0.4598   -0.6586    0.1228 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5041    0.0082    0.7191 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4218    0.5207   -0.1701 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8251    0.0409    0.4945 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7677    1.4652    0.0015 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0458   -0.6872    0.0007 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5309   -0.6733   -0.9856 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2118    1.0334    0.4391 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0131    1.2797   -0.8608 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9104   -0.2522   -0.8007 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250    0.1055    1.6221 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1361    1.9248    0.4980 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6139    1.5502   -1.0734 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6676    2.0354    0.3307 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7629    0.0327   -0.4432 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5753   -1.1426    0.8731 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7969   -1.5262   -0.6937 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  3  6  1  0
  6  7  1  0
  6  8  1  0
  3  9  1  0
  5 10  1  0
  5 11  1  0
  5 12  1  0
  6 13  1  0
  7 14  1  0
  7 15  1  0
  7 16  1  0
  8 17  1  0
  8 18  1  0
  8 19  1  0
M  CHG  2   1  -1   2   1
M  END