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 204.3
[M+Na]+ 404.31350 204.2
[M-H]- 380.31700 201.8
[M+NH4]+ 399.35810 215.6
[M+K]+ 420.28744 199.3
[M+H-H2O]+ 364.32154 195.6
[M+HCOO]- 426.32248 219.1
[M+CH3COO]- 440.33813 219.5
[M+Na-2H]- 402.29895 198.5
[M]+ 381.32373 208.3
[M]- 381.32483 208.3
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

patents stripe