CID 12247742

58365-04-1

Structural Information

Molecular Formula

C₅H₆N₂O₃

SMILES

CN1C(=CC(=O)N1)C(=O)O

InChI

InChI=1S/C5H6N2O3/c1-7-3(5(9)10)2-4(8)6-7/h2H,1H3,(H,6,8)(H,9,10)

InChIKey

SLVOOWWSQZFRPK-UHFFFAOYSA-N

Compound name

2-methyl-5-oxo-1H-pyrazole-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 23
Patents: 142.03784 Da
Monoisotopic Mass: -0.4
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	126.6
[M+Na]+	165.02706	136.8
[M+NH4]+	160.07166	132.3
[M+K]+	181.00100	135.7
[M-H]-	141.03056	124.2
[M+Na-2H]-	163.01251	129.8
[M]+	142.03729	126.9
[M]-	142.03839	126.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe