CID 95826

N-phenethyl succinimide

Structural Information

Molecular Formula

C₁₂H₁₃NO₂

SMILES

C1CC(=O)N(C1=O)CCC2=CC=CC=C2

InChI

InChI=1S/C12H13NO2/c14-11-6-7-12(15)13(11)9-8-10-4-2-1-3-5-10/h1-5H,6-9H2

InChIKey

KOGPFMVYUQPAHE-UHFFFAOYSA-N

Compound name

1-(2-phenylethyl)pyrrolidine-2,5-dione

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 31
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]+	204.10192	143.6
[M+Na]+	226.08386	151.3
[M-H]-	202.08736	148.9
[M+NH4]+	221.12846	163.1
[M+K]+	242.05780	148.3
[M+H-H2O]+	186.09190	136.5
[M+HCOO]-	248.09284	166.1
[M+CH3COO]-	262.10849	183.8
[M+Na-2H]-	224.06931	146.8
[M]+	203.09409	142.7
[M]-	203.09519	142.7

Literature stripe

literature stripe

Patent stripe

patents stripe