CID 139219073

1-benzyl-3-ethylpyrrolidine-2,4-dione

Structural Information

Molecular Formula
C13H15NO2
SMILES
CCC1C(=O)CN(C1=O)CC2=CC=CC=C2
InChI
InChI=1S/C13H15NO2/c1-2-11-12(15)9-14(13(11)16)8-10-6-4-3-5-7-10/h3-7,11H,2,8-9H2,1H3
InChIKey
VLUUYPPHAQVSIY-UHFFFAOYSA-N
Compound name
1-benzyl-3-ethylpyrrolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.11028 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.11756 147.7
[M+Na]+ 240.09950 155.9
[M-H]- 216.10300 153.2
[M+NH4]+ 235.14410 166.9
[M+K]+ 256.07344 152.7
[M+H-H2O]+ 200.10754 140.7
[M+HCOO]- 262.10848 169.9
[M+CH3COO]- 276.12413 188.0
[M+Na-2H]- 238.08495 149.7
[M]+ 217.10973 147.5
[M]- 217.11083 147.5
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.