CID 3063572

101105-22-0

Structural Information

Molecular Formula
C15H19NO2
SMILES
CCCCN1C(=O)CC(C1=O)CC2=CC=CC=C2
InChI
InChI=1S/C15H19NO2/c1-2-3-9-16-14(17)11-13(15(16)18)10-12-7-5-4-6-8-12/h4-8,13H,2-3,9-11H2,1H3
InChIKey
YAHJRAUNYSEJKY-UHFFFAOYSA-N
Compound name
3-benzyl-1-butylpyrrolidine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.14159 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.14887 157.0
[M+Na]+ 268.13081 164.3
[M-H]- 244.13431 162.1
[M+NH4]+ 263.17541 175.0
[M+K]+ 284.10475 160.5
[M+H-H2O]+ 228.13885 149.5
[M+HCOO]- 290.13979 178.4
[M+CH3COO]- 304.15544 194.1
[M+Na-2H]- 266.11626 157.9
[M]+ 245.14104 157.5
[M]- 245.14214 157.5
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.