CID 6484199

(3-hydroxy-1h-pyrazol-4-yl)acetic acid

Structural Information

Molecular Formula

C₅H₆N₂O₃

SMILES

C1=C(C(=O)NN1)CC(=O)O

InChI

InChI=1S/C5H6N2O3/c8-4(9)1-3-2-6-7-5(3)10/h2H,1H2,(H,8,9)(H2,6,7,10)

InChIKey

RUFCCZLIZRQRAP-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 9
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	127.3
[M+Na]+	165.02706	136.5
[M+NH4]+	160.07166	132.6
[M+K]+	181.00100	135.5
[M-H]-	141.03056	124.3
[M+Na-2H]-	163.01251	130.0
[M]+	142.03729	127.1
[M]-	142.03839	127.1

Literature stripe

literature stripe

Patent stripe

patents stripe