CID 12926949

81450-71-7

Structural Information

Molecular Formula
C7H4N2O3
SMILES
C1=C(NC(=O)C(=C1)C(=O)O)C#N
InChI
InChI=1S/C7H4N2O3/c8-3-4-1-2-5(7(11)12)6(10)9-4/h1-2H,(H,9,10)(H,11,12)
InChIKey
WQINTPBNSCVLQT-UHFFFAOYSA-N
Compound name
6-cyano-2-oxo-1H-pyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

164.02219 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.02947 132.7
[M+Na]+ 187.01141 143.9
[M+NH4]+ 182.05601 135.5
[M+K]+ 202.98535 136.8
[M-H]- 163.01491 124.8
[M+Na-2H]- 184.99686 135.1
[M]+ 164.02164 130.9
[M]- 164.02274 130.9
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

No patent data available for this compound.