CID 95241

1-benzylpyrrolidine-2,5-dione

Structural Information

Molecular Formula
C11H11NO2
SMILES
C1CC(=O)N(C1=O)CC2=CC=CC=C2
InChI
InChI=1S/C11H11NO2/c13-10-6-7-11(14)12(10)8-9-4-2-1-3-5-9/h1-5H,6-8H2
InChIKey
IONNJVQITCVNHK-UHFFFAOYSA-N
Compound name
1-benzylpyrrolidine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

257
Patents

189.07898 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.08626 139.0
[M+Na]+ 212.06820 147.2
[M-H]- 188.07170 144.5
[M+NH4]+ 207.11280 159.0
[M+K]+ 228.04214 144.4
[M+H-H2O]+ 172.07624 132.0
[M+HCOO]- 234.07718 161.8
[M+CH3COO]- 248.09283 180.8
[M+Na-2H]- 210.05365 142.8
[M]+ 189.07843 137.7
[M]- 189.07953 137.7
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