CID 574310

1h-pyrazole-3-carboxylic acid

Structural Information

Molecular Formula

C₄H₄N₂O₂

SMILES

C1=C(NN=C1)C(=O)O

InChI

InChI=1S/C4H4N2O2/c7-4(8)3-1-2-5-6-3/h1-2H,(H,5,6)(H,7,8)

InChIKey

KOPFEFZSAMLEHK-UHFFFAOYSA-N

Compound name

1H-pyrazole-5-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 30
References: 8773
Patents: 112.027275 Da
Monoisotopic Mass: 0.1
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]+	113.03455	119.7
[M+Na]+	135.01649	129.8
[M+NH4]+	130.06110	126.5
[M+K]+	150.99043	128.0
[M-H]-	111.02000	118.0
[M+Na-2H]-	133.00194	124.2
[M]+	112.02673	120.2
[M]-	112.02782	120.2

Literature stripe

literature stripe

Patent stripe

patents stripe