CID 131754936

Tg(15:0/o-18:0/20:3n6)

Structural Information

Molecular Formula
C56H104O5
SMILES
CCCCCCCCCCCCCCCCCCO[C@@H](COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC
InChI
InChI=1S/C56H104O5/c1-4-7-10-13-16-19-22-25-27-29-30-32-35-38-41-44-47-50-56(58)61-53-54(52-60-55(57)49-46-43-40-37-34-24-21-18-15-12-9-6-3)59-51-48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h16,19,25,27,30,32,54H,4-15,17-18,20-24,26,28-29,31,33-53H2,1-3H3/b19-16-,27-25-,32-30-/t54-/m0/s1
InChIKey
BKJCAIPLCWRQLC-OSWQCXTLSA-N
Compound name
[(2S)-2-octadecoxy-3-pentadecanoyloxypropyl] (8Z,11Z,14Z)-icosa-8,11,14-trienoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

856.7884 Da
Monoisotopic Mass

22.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 857.79568 319.5
[M+Na]+ 879.77762 319.2
[M+NH4]+ 874.82222 320.2
[M+K]+ 895.75156 322.7
[M-H]- 855.78112 300.1
[M+Na-2H]- 877.76307 313.1
[M]+ 856.78785 315.1
[M]- 856.78895 315.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.