CID 71695339

5-amino-6-chloropyridine-2-carboxylic acid

Structural Information

Molecular Formula
C6H5ClN2O2
SMILES
C1=CC(=NC(=C1N)Cl)C(=O)O
InChI
InChI=1S/C6H5ClN2O2/c7-5-3(8)1-2-4(9-5)6(10)11/h1-2H,8H2,(H,10,11)
InChIKey
RKEZFQHVYFATDB-UHFFFAOYSA-N
Compound name
5-amino-6-chloropyridine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

172.00395 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.01123 130.1
[M+Na]+ 194.99317 142.6
[M+NH4]+ 190.03777 137.7
[M+K]+ 210.96711 137.8
[M-H]- 170.99667 130.9
[M+Na-2H]- 192.97862 136.1
[M]+ 172.00340 132.2
[M]- 172.00450 132.2
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

patents stripe