CID 2763345

2-methyl-2-(1h-pyrazol-1-yl)propanoic acid

Structural Information

Molecular Formula

C₇H₁₀N₂O₂

SMILES

CC(C)(C(=O)O)N1C=CC=N1

InChI

InChI=1S/C7H10N2O2/c1-7(2,6(10)11)9-5-3-4-8-9/h3-5H,1-2H3,(H,10,11)

InChIKey

SZGVDJHDIPSUSA-UHFFFAOYSA-N

Compound name

2-methyl-2-pyrazol-1-ylpropanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 51
Patents: 154.07423 Da
Monoisotopic Mass: 0.5
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]+	155.08151	131.9
[M+Na]+	177.06345	141.6
[M+NH4]+	172.10805	138.3
[M+K]+	193.03739	140.2
[M-H]-	153.06695	130.1
[M+Na-2H]-	175.04890	136.3
[M]+	154.07368	132.4
[M]-	154.07478	132.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe