CID 18654320

2-octyldodecyl 5-oxo-l-prolinate

Structural Information

Molecular Formula
C25H47NO3
SMILES
CCCCCCCCCCC(CCCCCCCC)COC(=O)[C@@H]1CCC(=O)N1
InChI
InChI=1S/C25H47NO3/c1-3-5-7-9-11-12-14-16-18-22(17-15-13-10-8-6-4-2)21-29-25(28)23-19-20-24(27)26-23/h22-23H,3-21H2,1-2H3,(H,26,27)/t22?,23-/m0/s1
InChIKey
HQWLBRJUMWPIOA-WCSIJFPASA-N
Compound name
2-octyldodecyl (2S)-5-oxopyrrolidine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

178
Patents

409.3556 Da
Monoisotopic Mass

9.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.36288 211.9
[M+Na]+ 432.34482 216.1
[M+NH4]+ 427.38942 215.1
[M+K]+ 448.31876 210.8
[M-H]- 408.34832 209.4
[M+Na-2H]- 430.33027 209.1
[M]+ 409.35505 211.1
[M]- 409.35615 211.1
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