CID 3087701

P-isopropylphenylsuccinimide

Structural Information

Molecular Formula

C₁₃H₁₅NO₂

SMILES

CC(C)C1=CC=C(C=C1)C2CC(=O)NC2=O

InChI

InChI=1S/C13H15NO2/c1-8(2)9-3-5-10(6-4-9)11-7-12(15)14-13(11)16/h3-6,8,11H,7H2,1-2H3,(H,14,15,16)

InChIKey

QWKSNLFRWPIBOH-UHFFFAOYSA-N

Compound name

3-(4-propan-2-ylphenyl)pyrrolidine-2,5-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 217.11028 Da
Monoisotopic Mass: 1.8
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]+	218.117556	148.5
[M+Na]+	240.099498	156.0
[M-H]-	216.103004	152.8
[M+NH4]+	235.144103	166.9
[M+K]+	256.073438	152.3
[M+H-H2O]+	200.107540	141.9
[M+HCOO]-	262.108481	168.2
[M+CH3COO]-	276.124131	186.3
[M+Na-2H]-	238.084946	148.9
[M]+	217.10973142	145.8
[M]-	217.11082858	145.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe