CID 53393434

866807-27-4

Structural Information

Molecular Formula

C₆H₅ClN₂O₂

SMILES

C1=CC(=NC(=C1N)C(=O)O)Cl

InChI

InChI=1S/C6H5ClN2O2/c7-4-2-1-3(8)5(9-4)6(10)11/h1-2H,8H2,(H,10,11)

InChIKey

TXGSKLHDWJCBDC-UHFFFAOYSA-N

Compound name

3-amino-6-chloropyridine-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 135
Patents: 172.00395 Da
Monoisotopic Mass: 1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[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

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe