CID 7018451

3-(4-chloro-1h-pyrazol-1-yl)propanoic acid

Structural Information

Molecular Formula

C₆H₇ClN₂O₂

SMILES

C1=C(C=NN1CCC(=O)O)Cl

InChI

InChI=1S/C6H7ClN2O2/c7-5-3-8-9(4-5)2-1-6(10)11/h3-4H,1-2H2,(H,10,11)

InChIKey

JFKQKQVXRVGXGC-UHFFFAOYSA-N

Compound name

3-(4-chloropyrazol-1-yl)propanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 59
Patents: 174.0196 Da
Monoisotopic Mass: 0.3
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]+	175.02688	132.5
[M+Na]+	197.00882	143.9
[M+NH4]+	192.05342	139.5
[M+K]+	212.98276	140.8
[M-H]-	173.01232	131.4
[M+Na-2H]-	194.99427	137.1
[M]+	174.01905	133.8
[M]-	174.02015	133.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe