CID 12847993

Ethyl 5-hydroxy-1h-pyrazole-3-carboxylate

Structural Information

Molecular Formula

C₆H₈N₂O₃

SMILES

CCOC(=O)C1=CC(=O)NN1

InChI

InChI=1S/C6H8N2O3/c1-2-11-6(10)4-3-5(9)8-7-4/h3H,2H2,1H3,(H2,7,8,9)

InChIKey

FGCPAXRNQIOISG-UHFFFAOYSA-N

Compound name

ethyl 5-oxo-1,2-dihydropyrazole-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 292
Patents: 156.0535 Da
Monoisotopic Mass: 0.2
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	136.9
[M+K]+	195.01666	139.4
[M-H]-	155.04622	128.9
[M+Na-2H]-	177.02817	134.5
[M]+	156.05295	131.5
[M]-	156.05405	131.5

Literature stripe

literature stripe

Patent stripe

patents stripe