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

14
Patents

203.09464 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.10192 142.7
[M+Na]+ 226.08386 152.0
[M-H]- 202.08736 147.5
[M+NH4]+ 221.12846 163.9
[M+K]+ 242.05780 148.2
[M+H-H2O]+ 186.09190 136.9
[M+HCOO]- 248.09284 163.8
[M+CH3COO]- 262.10849 182.0
[M+Na-2H]- 224.06931 146.1
[M]+ 203.09409 140.7
[M]- 203.09519 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