CID 572875

16034-49-4

Structural Information

Molecular Formula

C₇H₁₀N₂O₂

SMILES

CC1=CC(=NN1CC(=O)O)C

InChI

InChI=1S/C7H10N2O2/c1-5-3-6(2)9(8-5)4-7(10)11/h3H,4H2,1-2H3,(H,10,11)

InChIKey

JYSWEDYPQJOEPO-UHFFFAOYSA-N

Compound name

2-(3,5-dimethylpyrazol-1-yl)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 107
Patents: 154.07423 Da
Monoisotopic Mass: 0.7
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	132.1
[M+Na]+	177.06345	142.9
[M+NH4]+	172.10805	138.7
[M+K]+	193.03739	140.5
[M-H]-	153.06695	130.9
[M+Na-2H]-	175.04890	136.0
[M]+	154.07368	133.0
[M]-	154.07478	133.0

Literature stripe

literature stripe

Patent stripe

patents stripe