CID 71756597

1-benzyl-5-methylpyrrolidine-2,4-dione

Structural Information

Molecular Formula
C12H13NO2
SMILES
CC1C(=O)CC(=O)N1CC2=CC=CC=C2
InChI
InChI=1S/C12H13NO2/c1-9-11(14)7-12(15)13(9)8-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3
InChIKey
VWJMJWRMYMVQIU-UHFFFAOYSA-N
Compound name
1-benzyl-5-methylpyrrolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 143.1
[M+Na]+ 226.08386 151.7
[M-H]- 202.08736 148.8
[M+NH4]+ 221.12846 162.8
[M+K]+ 242.05780 148.7
[M+H-H2O]+ 186.09190 136.3
[M+HCOO]- 248.09284 165.6
[M+CH3COO]- 262.10849 185.0
[M+Na-2H]- 224.06931 145.6
[M]+ 203.09409 142.5
[M]- 203.09519 142.5
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

No patent data available for this compound.