CID 66603503

1397321-10-6

Structural Information

Molecular Formula

C₁₀H₁₃NO₂

SMILES

CC1=CC(=NC=C1)C(C)(C)C(=O)O

InChI

InChI=1S/C10H13NO2/c1-7-4-5-11-8(6-7)10(2,3)9(12)13/h4-6H,1-3H3,(H,12,13)

InChIKey

CLVIVANVHDUWCV-UHFFFAOYSA-N

Compound name

2-methyl-2-(4-methylpyridin-2-yl)propanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 179.09464 Da
Monoisotopic Mass: 1.6
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]+	180.10192	139.0
[M+Na]+	202.08386	150.8
[M+NH4]+	197.12846	146.1
[M+K]+	218.05780	146.3
[M-H]-	178.08736	138.9
[M+Na-2H]-	200.06931	144.8
[M]+	179.09409	140.5
[M]-	179.09519	140.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe