CID 11195346

1-(4-methoxybenzyl)pyrrolidine-2,4-dione

Structural Information

Molecular Formula
C12H13NO3
SMILES
COC1=CC=C(C=C1)CN2CC(=O)CC2=O
InChI
InChI=1S/C12H13NO3/c1-16-11-4-2-9(3-5-11)7-13-8-10(14)6-12(13)15/h2-5H,6-8H2,1H3
InChIKey
DMGFIDULBDJTJF-UHFFFAOYSA-N
Compound name
1-[(4-methoxyphenyl)methyl]pyrrolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

219.08954 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.09682 146.0
[M+Na]+ 242.07876 154.6
[M-H]- 218.08226 151.7
[M+NH4]+ 237.12336 165.1
[M+K]+ 258.05270 152.1
[M+H-H2O]+ 202.08680 139.0
[M+HCOO]- 264.08774 168.8
[M+CH3COO]- 278.10339 187.1
[M+Na-2H]- 240.06421 148.7
[M]+ 219.08899 146.9
[M]- 219.09009 146.9
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

patents stripe