CID 72210839

6-amino-2-chloronicotinic acid

Structural Information

Molecular Formula

C₆H₅ClN₂O₂

SMILES

C1=CC(=NC(=C1C(=O)O)Cl)N

InChI

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

InChIKey

USUMQEZUENCWOG-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 14
Patents: 172.00395 Da
Monoisotopic Mass: 1.0
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

literature stripe

Patent stripe

patents stripe