Marvin  03130623232D          

  3  2  0  0  0  0            999 V2000
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.8250    0.0000 C   0  5  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  2  3  3  0  0  0  0
M  CHG  2   2   1   3  -1
M  END
> <ID>
CHEBI:44177

> <NAME>
isocyanomethane

> <STAR>
3

> <SECONDARY_ID>
CHEBI:30974; CHEBI:44173

> <SYNONYM>
methylisonitrile; methyl isonitrile; methyl isocyanide; METHYL ISOCYANIDE; MeNC; CNMe; CH3-NC

> <IUPAC_NAME>
isocyanomethane

> <FORMULA>
C2H3N

> <MASS>
41.05196

> <MONOISOTOPIC_MASS>
41.02655

> <CHARGE>
0

> <SMILES>
C[N+]#[C-]

> <INCHI>
InChI=1S/C2H3N/c1-3-2/h1H3

> <INCHIKEY>
ZRKSVHFXTRFQFL-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
1848353

> <CAS_REGISTRY_NUMBER>
593-75-9

> <GMELIN_REGISTRY_NUMBER>
850

> <CHEMIDPLUS>
593-75-9

> <NIST_CHEMISTRY_WEBBOOK>
593-75-9

> <PDBECHEM_ACCESSION>
MNC

$$$$