CID 43155395

3-methyl-3-(4-methylphenyl)pyrrolidine-2,5-dione

Structural Information

Molecular Formula
C12H13NO2
SMILES
CC1=CC=C(C=C1)C2(CC(=O)NC2=O)C
InChI
InChI=1S/C12H13NO2/c1-8-3-5-9(6-4-8)12(2)7-10(14)13-11(12)15/h3-6H,7H2,1-2H3,(H,13,14,15)
InChIKey
ZOERMGLGLIDJMC-UHFFFAOYSA-N
Compound name
3-methyl-3-(4-methylphenyl)pyrrolidine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

203.09464 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.101916 142.7
[M+Na]+ 226.083858 152.0
[M-H]- 202.087364 147.5
[M+NH4]+ 221.128463 163.9
[M+K]+ 242.057798 148.2
[M+H-H2O]+ 186.091900 136.9
[M+HCOO]- 248.092841 163.8
[M+CH3COO]- 262.108491 182.0
[M+Na-2H]- 224.069306 146.1
[M]+ 203.09409142 140.7
[M]- 203.09518858 140.7
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