CID 108476

4-phenylbutyl 5-oxoprolinate

Structural Information

Molecular Formula
C15H19NO3
SMILES
C1CC(=O)NC1C(=O)OCCCCC2=CC=CC=C2
InChI
InChI=1S/C15H19NO3/c17-14-10-9-13(16-14)15(18)19-11-5-4-8-12-6-2-1-3-7-12/h1-3,6-7,13H,4-5,8-11H2,(H,16,17)
InChIKey
LJTCEFYINQOTMA-UHFFFAOYSA-N
Compound name
4-phenylbutyl 5-oxopyrrolidine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.1365 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.143776 161.8
[M+Na]+ 284.125718 166.4
[M-H]- 260.129224 164.8
[M+NH4]+ 279.170323 177.7
[M+K]+ 300.099658 162.8
[M+H-H2O]+ 244.133760 153.9
[M+HCOO]- 306.134701 180.9
[M+CH3COO]- 320.150351 191.4
[M+Na-2H]- 282.111166 162.4
[M]+ 261.13595142 160.3
[M]- 261.13704858 160.3
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.