CID 3077961

1-benzyl-5-butoxypyrrolidin-2-one

Structural Information

Molecular Formula
C15H21NO2
SMILES
CCCCOC1CCC(=O)N1CC2=CC=CC=C2
InChI
InChI=1S/C15H21NO2/c1-2-3-11-18-15-10-9-14(17)16(15)12-13-7-5-4-6-8-13/h4-8,15H,2-3,9-12H2,1H3
InChIKey
WPWXUBAZDOBDHI-UHFFFAOYSA-N
Compound name
1-benzyl-5-butoxypyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

247.15723 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.164506 158.6
[M+Na]+ 270.146448 164.7
[M-H]- 246.149954 163.3
[M+NH4]+ 265.191053 176.3
[M+K]+ 286.120388 161.5
[M+H-H2O]+ 230.154490 150.7
[M+HCOO]- 292.155431 179.9
[M+CH3COO]- 306.171081 193.7
[M+Na-2H]- 268.131896 160.1
[M]+ 247.15668142 159.4
[M]- 247.15777858 159.4
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

patents stripe