CID 14329435

3-methoxy-1-methyl-1h-pyrazole-4-carboxylic acid

Structural Information

Molecular Formula

C₆H₈N₂O₃

SMILES

CN1C=C(C(=N1)OC)C(=O)O

InChI

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

InChIKey

VABYAAYEPSRUOM-UHFFFAOYSA-N

Compound name

3-methoxy-1-methylpyrazole-4-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 226
Patents: 156.0535 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]+	157.06078	130.7
[M+Na]+	179.04272	141.2
[M+NH4]+	174.08732	136.9
[M+K]+	195.01666	139.7
[M-H]-	155.04622	129.1
[M+Na-2H]-	177.02817	134.4
[M]+	156.05295	131.3
[M]-	156.05405	131.3

Literature stripe

literature stripe

Patent stripe

patents stripe