CID 43133808

2-(5-oxo-4,5-dihydro-1h-pyrazol-3-yl)acetic acid

Structural Information

Molecular Formula

C₅H₆N₂O₃

SMILES

C1C(=NNC1=O)CC(=O)O

InChI

InChI=1S/C5H6N2O3/c8-4-1-3(6-7-4)2-5(9)10/h1-2H2,(H,7,8)(H,9,10)

InChIKey

HGCLFOPYDIALKO-UHFFFAOYSA-N

Compound name

2-(5-oxo-1,4-dihydropyrazol-3-yl)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 142.03784 Da
Monoisotopic Mass: -0.8
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]+	143.04512	128.2
[M+Na]+	165.02706	137.0
[M+NH4]+	160.07166	133.8
[M+K]+	181.00100	135.8
[M-H]-	141.03056	125.5
[M+Na-2H]-	163.01251	130.6
[M]+	142.03729	128.0
[M]-	142.03839	128.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe