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]+ 180.040376 138.2
[M+Na]+ 202.022318 148.7
[M-H]- 178.025824 138.0
[M+NH4]+ 197.066923 153.2
[M+K]+ 217.996258 146.0
[M+H-H2O]+ 162.030360 125.6
[M+HCOO]- 224.031301 155.8
[M+CH3COO]- 238.046951 190.2
[M+Na-2H]- 200.007766 141.5
[M]+ 179.03255142 130.6
[M]- 179.03364858 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.