CID 55282853

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

Structural Information

Molecular Formula

C₅H₆N₂O₃

SMILES

COC1=NNC(=C1)C(=O)O

InChI

InChI=1S/C5H6N2O3/c1-10-4-2-3(5(8)9)6-7-4/h2H,1H3,(H,6,7)(H,8,9)

InChIKey

AGPOKZYHRLRMCH-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 142.03784 Da
Monoisotopic Mass: 0.4
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]+	143.04512	127.0
[M+Na]+	165.02706	136.7
[M+NH4]+	160.07166	133.0
[M+K]+	181.00100	135.5
[M-H]-	141.03056	124.8
[M+Na-2H]-	163.01251	130.5
[M]+	142.03729	127.3
[M]-	142.03839	127.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe