CID 203309

14149-35-0

Structural Information

Molecular Formula

C₁₂H₁₃NO₂

SMILES

CC1(CCC(=O)NC1=O)C2=CC=CC=C2

InChI

InChI=1S/C12H13NO2/c1-12(9-5-3-2-4-6-9)8-7-10(14)13-11(12)15/h2-6H,7-8H2,1H3,(H,13,14,15)

InChIKey

MCJWXKGQUZKDIC-UHFFFAOYSA-N

Compound name

3-methyl-3-phenylpiperidine-2,6-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 203.09464 Da
Monoisotopic Mass: 1.1
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]+	204.101916	144.1
[M+Na]+	226.083858	151.5
[M-H]-	202.087364	148.1
[M+NH4]+	221.128463	162.9
[M+K]+	242.057798	147.8
[M+H-H2O]+	186.091900	137.3
[M+HCOO]-	248.092841	162.9
[M+CH3COO]-	262.108491	181.3
[M+Na-2H]-	224.069306	149.5
[M]+	203.09409142	139.4
[M]-	203.09518858	139.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe