CID 129925157

904313-56-0

Structural Information

Molecular Formula
C6H5ClN2O3
SMILES
C1=C(NC(=O)C(=C1N)Cl)C(=O)O
InChI
InChI=1S/C6H5ClN2O3/c7-4-2(8)1-3(6(11)12)9-5(4)10/h1H,(H,11,12)(H3,8,9,10)
InChIKey
GMDDDCSGHHZKSU-UHFFFAOYSA-N
Compound name
4-amino-5-chloro-6-oxo-1H-pyridine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

187.99887 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.00615 132.5
[M+Na]+ 210.98809 143.1
[M-H]- 186.99159 132.7
[M+NH4]+ 206.03269 150.2
[M+K]+ 226.96203 138.6
[M+H-H2O]+ 170.99613 127.9
[M+HCOO]- 232.99707 149.6
[M+CH3COO]- 247.01272 177.0
[M+Na-2H]- 208.97354 136.7
[M]+ 187.99832 131.7
[M]- 187.99942 131.7
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.