CID 6485340

32089-46-6

Structural Information

Molecular Formula

C₅H₅ClN₂O₂

SMILES

C1=C(C=NN1CC(=O)O)Cl

InChI

InChI=1S/C5H5ClN2O2/c6-4-1-7-8(2-4)3-5(9)10/h1-2H,3H2,(H,9,10)

InChIKey

KPXIVTIAZUNIOR-UHFFFAOYSA-N

Compound name

2-(4-chloropyrazol-1-yl)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 40
Patents: 160.00395 Da
Monoisotopic Mass: 0.6
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]+	161.01123	128.0
[M+Na]+	182.99317	139.6
[M+NH4]+	178.03777	135.2
[M+K]+	198.96711	136.7
[M-H]-	158.99667	126.9
[M+Na-2H]-	180.97862	132.9
[M]+	160.00340	129.3
[M]-	160.00450	129.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe