CID 23005849

1007502-38-6

Structural Information

Molecular Formula

C₁₀H₁₆N₂O₂

SMILES

CC1=C(C(=NN1C(C)C)C)CC(=O)O

InChI

InChI=1S/C10H16N2O2/c1-6(2)12-8(4)9(5-10(13)14)7(3)11-12/h6H,5H2,1-4H3,(H,13,14)

InChIKey

ZERXEZOBCJYCJF-UHFFFAOYSA-N

Compound name

2-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
Patents: 196.12119 Da
Monoisotopic Mass: 1.2
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]+	197.12847	143.8
[M+Na]+	219.11041	152.8
[M-H]-	195.11391	144.2
[M+NH4]+	214.15501	162.3
[M+K]+	235.08435	151.2
[M+H-H2O]+	179.11845	137.6
[M+HCOO]-	241.11939	163.3
[M+CH3COO]-	255.13504	185.6
[M+Na-2H]-	217.09586	144.2
[M]+	196.12064	146.0
[M]-	196.12174	146.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe