CID 129962105

1261633-42-4

Structural Information

Molecular Formula

C₈H₈ClNO₃

SMILES

COC1=C(C=CC(=N1)Cl)CC(=O)O

InChI

InChI=1S/C8H8ClNO3/c1-13-8-5(4-7(11)12)2-3-6(9)10-8/h2-3H,4H2,1H3,(H,11,12)

InChIKey

MMXNHEFIOALRHR-UHFFFAOYSA-N

Compound name

2-(6-chloro-2-methoxypyridin-3-yl)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
Patents: 201.01927 Da
Monoisotopic Mass: 1.6
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]+	202.02655	137.7
[M+Na]+	224.00849	150.9
[M+NH4]+	219.05309	145.0
[M+K]+	239.98243	145.5
[M-H]-	200.01199	137.9
[M+Na-2H]-	221.99394	143.5
[M]+	201.01872	139.7
[M]-	201.01982	139.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe