CID 2146178

32701-75-0

Structural Information

Molecular Formula

C₇H₁₀N₂O₂

SMILES

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

InChI

InChI=1S/C7H10N2O2/c1-4-6(3-7(10)11)5(2)9-8-4/h3H2,1-2H3,(H,8,9)(H,10,11)

InChIKey

HHILOQLQBYEUTP-UHFFFAOYSA-N

Compound name

2-(3,5-dimethyl-1H-pyrazol-4-yl)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 35
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	132.6
[M+Na]+	177.06345	142.8
[M+NH4]+	172.10805	138.9
[M+K]+	193.03739	140.8
[M-H]-	153.06695	131.0
[M+Na-2H]-	175.04890	135.9
[M]+	154.07368	133.2
[M]-	154.07478	133.2

Literature stripe

literature stripe

Patent stripe

patents stripe