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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.11756 148.5
[M+Na]+ 240.09950 156.0
[M-H]- 216.10300 152.8
[M+NH4]+ 235.14410 166.9
[M+K]+ 256.07344 152.3
[M+H-H2O]+ 200.10754 141.9
[M+HCOO]- 262.10848 168.2
[M+CH3COO]- 276.12413 186.3
[M+Na-2H]- 238.08495 148.9
[M]+ 217.10973 145.8
[M]- 217.11083 145.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe