CID 7063820

2-amino-5-cyano-6-oxo-1,6-dihydropyridine-3-carboxylic acid

Structural Information

Molecular Formula
C7H5N3O3
SMILES
C1=C(C(=O)NC(=C1C(=O)O)N)C#N
InChI
InChI=1S/C7H5N3O3/c8-2-3-1-4(7(12)13)5(9)10-6(3)11/h1H,(H,12,13)(H3,9,10,11)
InChIKey
WSSUAZKRKXPQHH-UHFFFAOYSA-N
Compound name
2-amino-5-cyano-6-oxo-1H-pyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

179.0331 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.04038 138.2
[M+Na]+ 202.02232 148.7
[M-H]- 178.02582 138.0
[M+NH4]+ 197.06692 153.2
[M+K]+ 217.99626 146.0
[M+H-H2O]+ 162.03036 125.6
[M+HCOO]- 224.03130 155.8
[M+CH3COO]- 238.04695 190.2
[M+Na-2H]- 200.00777 141.5
[M]+ 179.03255 130.6
[M]- 179.03365 130.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.