CID 44441304

840504-40-7

Structural Information

Molecular Formula

C₆H₈N₂O₃

SMILES

COCC1=CC(=NN1)C(=O)O

InChI

InChI=1S/C6H8N2O3/c1-11-3-4-2-5(6(9)10)8-7-4/h2H,3H2,1H3,(H,7,8)(H,9,10)

InChIKey

UAJNGJPTGMEKLM-UHFFFAOYSA-N

Compound name

5-(methoxymethyl)-1H-pyrazole-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 48
Patents: 156.0535 Da
Monoisotopic Mass: -0.2
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	131.4
[M+Na]+	179.04272	141.0
[M+NH4]+	174.08732	137.2
[M+K]+	195.01666	139.5
[M-H]-	155.04622	129.2
[M+Na-2H]-	177.02817	134.7
[M]+	156.05295	131.6
[M]-	156.05405	131.6

Literature stripe

literature stripe

Patent stripe

patents stripe