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]+ 189.006146 132.5
[M+Na]+ 210.988088 143.1
[M-H]- 186.991594 132.7
[M+NH4]+ 206.032693 150.2
[M+K]+ 226.962028 138.6
[M+H-H2O]+ 170.996130 127.9
[M+HCOO]- 232.997071 149.6
[M+CH3COO]- 247.012721 177.0
[M+Na-2H]- 208.973536 136.7
[M]+ 187.99832142 131.7
[M]- 187.99941858 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.