CID 56842365

1-ethyltetradecyl 5-oxo-l-prolinate

Structural Information

Molecular Formula
C21H39NO3
SMILES
CCCCCCCCCCCCCC(CC)OC(=O)[C@@H]1CCC(=O)N1
InChI
InChI=1S/C21H39NO3/c1-3-5-6-7-8-9-10-11-12-13-14-15-18(4-2)25-21(24)19-16-17-20(23)22-19/h18-19H,3-17H2,1-2H3,(H,22,23)/t18?,19-/m0/s1
InChIKey
GYCALDUKXYELNL-GGYWPGCISA-N
Compound name
hexadecan-3-yl (2S)-5-oxopyrrolidine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

353.293 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.300276 196.4
[M+Na]+ 376.282218 196.9
[M-H]- 352.285724 194.5
[M+NH4]+ 371.326823 208.8
[M+K]+ 392.256158 193.0
[M+H-H2O]+ 336.290260 188.2
[M+HCOO]- 398.291201 210.9
[M+CH3COO]- 412.306851 214.5
[M+Na-2H]- 374.267666 190.4
[M]+ 353.29245142 199.0
[M]- 353.29354858 199.0
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.