CID 107611

Octadecyl 5-oxo-l-prolinate

Structural Information

Molecular Formula
C23H43NO3
SMILES
CCCCCCCCCCCCCCCCCCOC(=O)[C@@H]1CCC(=O)N1
InChI
InChI=1S/C23H43NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-27-23(26)21-18-19-22(25)24-21/h21H,2-20H2,1H3,(H,24,25)/t21-/m0/s1
InChIKey
SJRXYWPYOIFJED-NRFANRHFSA-N
Compound name
octadecyl (2S)-5-oxopyrrolidine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

92
Patents

381.32428 Da
Monoisotopic Mass

8.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.33156 203.6
[M+Na]+ 404.31350 208.6
[M+NH4]+ 399.35810 207.3
[M+K]+ 420.28744 202.9
[M-H]- 380.31700 201.4
[M+Na-2H]- 402.29895 201.6
[M]+ 381.32373 203.1
[M]- 381.32483 203.1
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