CID 82076713

1-(3,5-dimethylphenyl)pyrrolidine-2,5-dione

Structural Information

Molecular Formula
C12H13NO2
SMILES
CC1=CC(=CC(=C1)N2C(=O)CCC2=O)C
InChI
InChI=1S/C12H13NO2/c1-8-5-9(2)7-10(6-8)13-11(14)3-4-12(13)15/h5-7H,3-4H2,1-2H3
InChIKey
OOLSLUHREGCXLL-UHFFFAOYSA-N
Compound name
1-(3,5-dimethylphenyl)pyrrolidine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

203.09464 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.10192 142.3
[M+Na]+ 226.08386 152.0
[M-H]- 202.08736 148.5
[M+NH4]+ 221.12846 162.5
[M+K]+ 242.05780 149.0
[M+H-H2O]+ 186.09190 135.9
[M+HCOO]- 248.09284 164.9
[M+CH3COO]- 262.10849 186.2
[M+Na-2H]- 224.06931 144.3
[M]+ 203.09409 142.3
[M]- 203.09519 142.3
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