Mol:PR100840

 
 
 
  9  8  0  0  1  0  0  0  0  0999 V2000 
   22.4922  -17.1397    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0 
   23.6796  -16.4029    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0 
   21.2581  -16.4789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   22.5391  -18.5377    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
   24.9137  -17.0637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   23.6387  -15.0049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   20.1001  -17.2742    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   21.2815  -15.0809    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   26.1069  -16.3268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  1  2  1  0     0  0 
  1  3  1  0     0  0 
  1  4  1  1     0  0 
  2  5  1  0     0  0 
  2  6  1  1     0  0 
  3  7  1  0     0  0 
  3  8  2  0     0  0 
  5  9  1  0     0  0 
PR100840n.mol:cas nothing 
S  SKP  5 
ID	PR100840 
FORMULA	C6H13NO2 
EXACTMASS	131.094628665 
AVERAGEMASS	131.17296 
SMILES	CC[C@H](C)[C@@H](N)C(O)=O 
M  END