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 132.5
[M+Na]+ 187.01141 143.3
[M-H]- 163.01491 132.5
[M+NH4]+ 182.05601 148.5
[M+K]+ 202.98535 140.4
[M+H-H2O]+ 147.01945 120.1
[M+HCOO]- 209.02039 149.9
[M+CH3COO]- 223.03604 184.9
[M+Na-2H]- 184.99686 137.4
[M]+ 164.02164 126.2
[M]- 164.02274 126.2
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.