Mol:PR100404

 
 
 
  7  6  0  0  0  0  0  0  0  0999 V2000 
    6.1600  -12.6700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    7.3724  -11.9700    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0 
    8.5849  -12.6700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    9.7973  -11.9700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   11.0097  -12.6700    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    7.3724  -10.5702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    7.3724  -13.3700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  1  2  1  0     0  0 
  2  3  1  0     0  0 
  3  4  1  0     0  0 
  4  5  1  0     0  0 
  2  6  1  0     0  0 
  2  7  1  0     0  0 
M  CHG  1   2   1 
S  SKP  7 
CAS_RN	62-49-7 
NAME	Choline 
ID	PR100404 
FORMULA	C5H14NO 
EXACTMASS	104.10753907499999 
AVERAGEMASS	104.1708 
SMILES	OCC[N+1](C)(C)C 
M  END