CID 11321080

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

Structural Information

Molecular Formula

C₆H₈N₂O₃

SMILES

CCOC1=NNC(=C1)C(=O)O

InChI

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

InChIKey

XJEVZVWMLSOJJV-UHFFFAOYSA-N

Compound name

3-ethoxy-1H-pyrazole-5-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 61
Patents: 156.0535 Da
Monoisotopic Mass: 0.7
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	130.2
[M+Na]+	179.04272	138.7
[M-H]-	155.04622	128.8
[M+NH4]+	174.08732	148.8
[M+K]+	195.01666	137.2
[M+H-H2O]+	139.05076	123.8
[M+HCOO]-	201.05170	150.7
[M+CH3COO]-	215.06735	169.7
[M+Na-2H]-	177.02817	134.6
[M]+	156.05295	130.2
[M]-	156.05405	130.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe