CID 243167

6635-88-7

Structural Information

Molecular Formula
C7H6N2O
SMILES
C1=CC(=C[N+](=C1)[O-])CC#N
InChI
InChI=1S/C7H6N2O/c8-4-3-7-2-1-5-9(10)6-7/h1-2,5-6H,3H2
InChIKey
OGPFILFOKYMAKO-UHFFFAOYSA-N
Compound name
2-(1-oxidopyridin-1-ium-3-yl)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

86
Patents

134.04802 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.05530 126.1
[M+Na]+ 157.03724 140.4
[M+NH4]+ 152.08184 131.7
[M+K]+ 173.01118 132.6
[M-H]- 133.04074 121.7
[M+Na-2H]- 155.02269 131.2
[M]+ 134.04747 126.1
[M]- 134.04857 126.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe