CID 3084676

5-hydroxy-1h-pyrazole-3-carboxylic acid

Structural Information

Molecular Formula

C₄H₄N₂O₃

SMILES

C1=C(NNC1=O)C(=O)O

InChI

InChI=1S/C4H4N2O3/c7-3-1-2(4(8)9)5-6-3/h1H,(H,8,9)(H2,5,6,7)

InChIKey

FERCTUUKKXAWIL-UHFFFAOYSA-N

Compound name

5-oxo-1,2-dihydropyrazole-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 238
Patents: 128.02219 Da
Monoisotopic Mass: -0.5
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]+	129.02947	122.9
[M+Na]+	151.01141	132.3
[M+NH4]+	146.05601	128.4
[M+K]+	166.98535	131.5
[M-H]-	127.01491	119.9
[M+Na-2H]-	148.99686	125.9
[M]+	128.02164	122.8
[M]-	128.02274	122.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe