CID 131753272

Tg(14:0/16:0/14:1(9z))

Structural Information

Molecular Formula
C47H88O6
SMILES
CCCCCCCCCCCCCCCC(=O)O[C@@H](COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCC/C=C\CCCC
InChI
InChI=1S/C47H88O6/c1-4-7-10-13-16-19-22-23-26-29-32-35-38-41-47(50)53-44(42-51-45(48)39-36-33-30-27-24-20-17-14-11-8-5-2)43-52-46(49)40-37-34-31-28-25-21-18-15-12-9-6-3/h14,17,44H,4-13,15-16,18-43H2,1-3H3/b17-14-/t44-/m1/s1
InChIKey
LKQZQPJLOPLSMV-HZMXKNRLSA-N
Compound name
[(2S)-1-tetradecanoyloxy-3-[(Z)-tetradec-9-enoyl]oxypropan-2-yl] hexadecanoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

748.6581 Da
Monoisotopic Mass

18.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 749.66538 296.5
[M+Na]+ 771.64732 296.3
[M+NH4]+ 766.69192 298.9
[M+K]+ 787.62126 298.5
[M-H]- 747.65082 281.0
[M+Na-2H]- 769.63277 292.7
[M]+ 748.65755 293.1
[M]- 748.65865 293.1
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.