Mol:PBX00009

 
 OpenBabel10130914012D 
 
 15 15  0  0  0  0  0  0  0  0999 V2000 
  809.8823-1301.2131    0.0000 C   0  0  0  0  0 
  576.5097-1166.4755    0.0000 C   0  0  0  0  0 
  576.5097 -896.9999    0.0000 N   0  0  0  0  0 
  809.8823 -762.2624    0.0000 C   0  0  0  0  0 
 1043.2549 -897.0000    0.0000 C   0  0  0  0  0 
 1043.2549-1166.4755    0.0000 C   0  0  0  0  0 
 1276.6274 -762.2624    0.0000 C   0  0  0  0  0 
 1276.6274 -492.7869    0.0000 O   0  0  0  0  0 
 1510.0000 -897.0001    0.0000 O   0  0  0  0  0 
 1743.3724 -762.2624    0.0000 C   0  0  0  0  0 
 1976.7449 -897.0001    0.0000 C   0  0  0  0  0 
 2210.1174 -762.2624    0.0000 N   0  0  0  0  0 
 2075.3799 -528.8900    0.0000 C   0  0  0  0  0 
 2344.8552 -995.6349    0.0000 C   0  0  0  0  0 
 2443.4900 -627.5247    0.0000 C   0  0  0  0  0 
  1  2  1  0  0  0 
  1  6  2  0  0  0 
  2  3  2  0  0  0 
  3  4  1  0  0  0 
  4  5  2  0  0  0 
  5  6  1  0  0  0 
  5  7  1  0  0  0 
  7  8  2  0  0  0 
  7  9  1  0  0  0 
  9 10  1  0  0  0 
 10 11  1  0  0  0 
 11 12  1  0  0  0 
 12 13  1  0  0  0 
 12 14  1  0  0  0 
 12 15  1  0  0  0 
M  CHG  1  12   1 
S  SKP  6 
NAME	Nicotinoylcholine 
ID	PBX00009 
FORMULA	C11H17N2O2 
EXACTMASS	209.129002798 
AVERAGEMASS	209.26496 
SMILES	CN(C)(C)CCOC(=O)c(c1)cncc1 
M  END