CID 19621868

1-(2-hydroxyethyl)-1h-pyrazole-4-carboxylic acid

Structural Information

Molecular Formula

C₆H₈N₂O₃

SMILES

C1=C(C=NN1CCO)C(=O)O

InChI

InChI=1S/C6H8N2O3/c9-2-1-8-4-5(3-7-8)6(10)11/h3-4,9H,1-2H2,(H,10,11)

InChIKey

NUHXGWJMJWTPGI-UHFFFAOYSA-N

Compound name

1-(2-hydroxyethyl)pyrazole-4-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 54
Patents: 156.0535 Da
Monoisotopic Mass: -1.0
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	131.4
[M+Na]+	179.04272	141.0
[M+NH4]+	174.08732	137.2
[M+K]+	195.01666	139.5
[M-H]-	155.04622	129.2
[M+Na-2H]-	177.02817	134.7
[M]+	156.05295	131.6
[M]-	156.05405	131.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe