CID 131779016

Tg(8:0/18:0/18:0)

Structural Information

Molecular Formula
C47H90O6
SMILES
CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC
InChI
InChI=1S/C47H90O6/c1-4-7-10-13-15-17-19-21-23-25-27-29-31-34-37-40-46(49)52-43-44(42-51-45(48)39-36-33-12-9-6-3)53-47(50)41-38-35-32-30-28-26-24-22-20-18-16-14-11-8-5-2/h44H,4-43H2,1-3H3/t44-/m0/s1
InChIKey
UOLYQWJYDWFXFZ-SJARJILFSA-N
Compound name
[(2S)-2-octadecanoyloxy-3-octanoyloxypropyl] octadecanoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

750.67377 Da
Monoisotopic Mass

19.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 751.68105 298.6
[M+Na]+ 773.66299 297.9
[M+NH4]+ 768.70759 301.0
[M+K]+ 789.63693 300.3
[M-H]- 749.66649 282.3
[M+Na-2H]- 771.64844 294.4
[M]+ 750.67322 294.9
[M]- 750.67432 294.9
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.