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]+ 236.091736 148.2
[M+Na]+ 258.073678 157.5
[M-H]- 234.077184 154.3
[M+NH4]+ 253.118283 166.8
[M+K]+ 274.047618 155.6
[M+H-H2O]+ 218.081720 141.4
[M+HCOO]- 280.082661 171.1
[M+CH3COO]- 294.098311 190.5
[M+Na-2H]- 256.059126 150.3
[M]+ 235.08391142 151.0
[M]- 235.08500858 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.