Marvin  08230600122D          

  8  8  0  0  0  0            999 V2000
    0.0000    0.8250    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.0000    1.6500    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.7145    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  3  2  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  3  1  0  0  0  0
  1  2  1  0  0  0  0
  3  4  1  0  0  0  0
M  CHG  2   1   1   2  -1
M  END
> <ID>
CHEBI:35578

> <NAME>
picoline N-oxide

> <STAR>
3

> <SYNONYM>
Picoline, 1-oxide; picoline 1-oxide; Methylpyridine 1-oxide

> <IUPAC_NAME>
2-methylpyridine 1-oxide

> <FORMULA>
C6H7NO

> <MASS>
109.12592

> <MONOISOTOPIC_MASS>
109.05276

> <CHARGE>
0

> <SMILES>
Cc1cccc[n+]1[O-]

> <INCHI>
InChI=1S/C6H7NO/c1-6-4-2-3-5-7(6)8/h2-5H,1H3

> <INCHIKEY>
CFZKDDTWZYUZKS-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
51279-53-9

> <CHEMIDPLUS>
51279-53-9

$$$$