CID 3584864

1-(2,4-dimethoxyphenyl)pyrrolidine-2,5-dione

Structural Information

Molecular Formula
C12H13NO4
SMILES
COC1=CC(=C(C=C1)N2C(=O)CCC2=O)OC
InChI
InChI=1S/C12H13NO4/c1-16-8-3-4-9(10(7-8)17-2)13-11(14)5-6-12(13)15/h3-4,7H,5-6H2,1-2H3
InChIKey
ARGFKAVRWPWYKE-UHFFFAOYSA-N
Compound name
1-(2,4-dimethoxyphenyl)pyrrolidine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

235.08446 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.09174 148.2
[M+Na]+ 258.07368 157.5
[M-H]- 234.07718 154.3
[M+NH4]+ 253.11828 166.8
[M+K]+ 274.04762 155.6
[M+H-H2O]+ 218.08172 141.4
[M+HCOO]- 280.08266 171.1
[M+CH3COO]- 294.09831 190.5
[M+Na-2H]- 256.05913 150.3
[M]+ 235.08391 151.0
[M]- 235.08501 151.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.