CID 57799155

1-(2-methoxyethyl)-1h-pyrazole-3-carboxylic acid

Structural Information

Molecular Formula

C₇H₁₀N₂O₃

SMILES

COCCN1C=CC(=N1)C(=O)O

InChI

InChI=1S/C7H10N2O3/c1-12-5-4-9-3-2-6(8-9)7(10)11/h2-3H,4-5H2,1H3,(H,10,11)

InChIKey

TZXBGMDXAVJZAQ-UHFFFAOYSA-N

Compound name

1-(2-methoxyethyl)pyrazole-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 34
Patents: 170.06914 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]+	171.07642	135.3
[M+Na]+	193.05836	145.2
[M+NH4]+	188.10296	141.3
[M+K]+	209.03230	143.2
[M-H]-	169.06186	133.6
[M+Na-2H]-	191.04381	139.0
[M]+	170.06859	135.8
[M]-	170.06969	135.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe