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

2
Patents

172.00395 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.011226 130.1
[M+Na]+ 194.993168 140.1
[M-H]- 170.996674 131.4
[M+NH4]+ 190.037773 149.1
[M+K]+ 210.967108 136.5
[M+H-H2O]+ 155.001210 125.2
[M+HCOO]- 217.002151 148.4
[M+CH3COO]- 231.017801 176.7
[M+Na-2H]- 192.978616 135.6
[M]+ 172.00340142 130.1
[M]- 172.00449858 130.1
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