CID 83872844

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

Structural Information

Molecular Formula

C₆H₈N₂O₃

SMILES

CCN1C(=O)C=C(N1)C(=O)O

InChI

InChI=1S/C6H8N2O3/c1-2-8-5(9)3-4(7-8)6(10)11/h3,7H,2H2,1H3,(H,10,11)

InChIKey

CRUUILCJGJTPML-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 156.0535 Da
Monoisotopic Mass: 0.0
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]+	157.06078	131.1
[M+Na]+	179.04272	141.0
[M+NH4]+	174.08732	136.6
[M+K]+	195.01666	139.6
[M-H]-	155.04622	128.6
[M+Na-2H]-	177.02817	133.9
[M]+	156.05295	131.2
[M]-	156.05405	131.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe