CID 3268477

180741-31-5

Structural Information

Molecular Formula

C₆H₇ClN₂O₂

SMILES

CC1=NN(C=C1Cl)CC(=O)O

InChI

InChI=1S/C6H7ClN2O2/c1-4-5(7)2-9(8-4)3-6(10)11/h2H,3H2,1H3,(H,10,11)

InChIKey

GKOXLQBPFJJJGU-UHFFFAOYSA-N

Compound name

2-(4-chloro-3-methylpyrazol-1-yl)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 174.0196 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]+	175.02688	132.4
[M+Na]+	197.00882	144.1
[M+NH4]+	192.05342	139.4
[M+K]+	212.98276	141.2
[M-H]-	173.01232	131.3
[M+Na-2H]-	194.99427	136.7
[M]+	174.01905	133.7
[M]-	174.02015	133.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe