CID 131779329

Tg(8:0/i-18:0/i-15:0)

Structural Information

Molecular Formula
C44H84O6
SMILES
CCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC(C)C
InChI
InChI=1S/C44H84O6/c1-6-7-8-22-29-34-42(45)48-37-41(38-49-43(46)35-30-25-20-17-13-15-19-24-28-33-40(4)5)50-44(47)36-31-26-21-16-12-10-9-11-14-18-23-27-32-39(2)3/h39-41H,6-38H2,1-5H3/t41-/m0/s1
InChIKey
DWYTVUGRFAFKSR-RWYGWLOXSA-N
Compound name
[(2S)-1-(13-methyltetradecanoyloxy)-3-octanoyloxypropan-2-yl] 16-methylheptadecanoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

708.6268 Da
Monoisotopic Mass

17.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 709.63408 290.2
[M+Na]+ 731.61602 289.7
[M+NH4]+ 726.66062 294.3
[M+K]+ 747.58996 291.6
[M-H]- 707.61952 277.3
[M+Na-2H]- 729.60147 287.5
[M]+ 708.62625 287.4
[M]- 708.62735 287.4
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.