CID 556341

31595-32-1

Structural Information

Molecular Formula

C₁₀H₁₃NO

SMILES

CC(C)(C)C(=O)C1=CC=CC=N1

InChI

InChI=1S/C10H13NO/c1-10(2,3)9(12)8-6-4-5-7-11-8/h4-7H,1-3H3

InChIKey

LTHFMKSCCBAWAT-UHFFFAOYSA-N

Compound name

2,2-dimethyl-1-pyridin-2-ylpropan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 143
Patents: 163.09972 Da
Monoisotopic Mass: 2.3
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]+	164.10700	135.9
[M+Na]+	186.08894	148.5
[M+NH4]+	181.13354	144.0
[M+K]+	202.06288	142.8
[M-H]-	162.09244	136.9
[M+Na-2H]-	184.07439	143.0
[M]+	163.09917	138.0
[M]-	163.10027	138.0

Literature stripe

literature stripe

Patent stripe

patents stripe