CID 14071571

39891-13-9

Structural Information

Molecular Formula

C₇H₆ClNO₂

SMILES

C1=CC(=NC=C1CC(=O)O)Cl

InChI

InChI=1S/C7H6ClNO2/c8-6-2-1-5(4-9-6)3-7(10)11/h1-2,4H,3H2,(H,10,11)

InChIKey

XWVPSJPQWOVRHJ-UHFFFAOYSA-N

Compound name

2-(6-chloropyridin-3-yl)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 625
Patents: 171.00871 Da
Monoisotopic Mass: 1.3
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]+	172.01599	130.5
[M+Na]+	193.99793	144.1
[M+NH4]+	189.04253	138.7
[M+K]+	209.97187	138.2
[M-H]-	170.00143	131.3
[M+Na-2H]-	191.98338	137.3
[M]+	171.00816	132.8
[M]-	171.00926	132.8

Literature stripe

literature stripe

Patent stripe

patents stripe