CID 3077961

(+-)-5-butoxy-1-(phenylmethyl)-2-pyrrolidinone

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]+ 248.16451 158.6
[M+Na]+ 270.14645 164.7
[M-H]- 246.14995 163.3
[M+NH4]+ 265.19105 176.3
[M+K]+ 286.12039 161.5
[M+H-H2O]+ 230.15449 150.7
[M+HCOO]- 292.15543 179.9
[M+CH3COO]- 306.17108 193.7
[M+Na-2H]- 268.13190 160.1
[M]+ 247.15668 159.4
[M]- 247.15778 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