CID 54572443

1314928-85-2

Structural Information

Molecular Formula

C₆H₈N₂O₂

SMILES

CC1=C(C=NN1)CC(=O)O

InChI

InChI=1S/C6H8N2O2/c1-4-5(2-6(9)10)3-7-8-4/h3H,2H2,1H3,(H,7,8)(H,9,10)

InChIKey

ZYGUBLYBHLVTPW-UHFFFAOYSA-N

Compound name

2-(5-methyl-1H-pyrazol-4-yl)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 140.05858 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]+	141.06586	128.4
[M+Na]+	163.04780	138.4
[M+NH4]+	158.09240	134.8
[M+K]+	179.02174	136.4
[M-H]-	139.05130	126.6
[M+Na-2H]-	161.03325	132.1
[M]+	140.05803	128.9
[M]-	140.05913	128.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe