CID 54211081

1-(methoxymethyl)-1h-pyrazole-5-carboxylic acid

Structural Information

Molecular Formula

C₆H₈N₂O₃

SMILES

COCN1C(=CC=N1)C(=O)O

InChI

InChI=1S/C6H8N2O3/c1-11-4-8-5(6(9)10)2-3-7-8/h2-3H,4H2,1H3,(H,9,10)

InChIKey

PVZOKQCCMGYNQJ-UHFFFAOYSA-N

Compound name

2-(methoxymethyl)pyrazole-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 156.0535 Da
Monoisotopic Mass: 0.0
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	130.9
[M+Na]+	179.04272	141.0
[M+NH4]+	174.08732	137.1
[M+K]+	195.01666	139.3
[M-H]-	155.04622	129.2
[M+Na-2H]-	177.02817	134.8
[M]+	156.05295	131.4
[M]-	156.05405	131.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe