CID 14371381

41668-11-5

Structural Information

Molecular Formula
C6H5ClN2O2
SMILES
C1=C(C=NC(=C1Cl)N)C(=O)O
InChI
InChI=1S/C6H5ClN2O2/c7-4-1-3(6(10)11)2-9-5(4)8/h1-2H,(H2,8,9)(H,10,11)
InChIKey
ODKOPTSSZHBINK-UHFFFAOYSA-N
Compound name
6-amino-5-chloropyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

172.00395 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.01123 130.1
[M+Na]+ 194.99317 140.1
[M-H]- 170.99667 131.4
[M+NH4]+ 190.03777 149.1
[M+K]+ 210.96711 136.5
[M+H-H2O]+ 155.00121 125.2
[M+HCOO]- 217.00215 148.4
[M+CH3COO]- 231.01780 176.7
[M+Na-2H]- 192.97862 135.6
[M]+ 172.00340 130.1
[M]- 172.00450 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