CID 131805427

Tg(a-13:0/i-14:0/a-17:0)[rac]

Structural Information

Molecular Formula
C47H90O6
SMILES
CCC(C)CCCCCCCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCC(C)C
InChI
InChI=1S/C47H90O6/c1-7-42(5)34-28-22-16-11-9-10-12-17-24-30-36-45(48)51-39-44(40-52-46(49)37-31-25-20-19-23-29-35-43(6)8-2)53-47(50)38-32-26-18-14-13-15-21-27-33-41(3)4/h41-44H,7-40H2,1-6H3/t42?,43?,44-/m1/s1
InChIKey
KFGKSPPKUIFEHJ-JLITXCKKSA-N
Compound name
[(2R)-3-(10-methyldodecanoyloxy)-2-(12-methyltridecanoyloxy)propyl] 14-methylhexadecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

750.67377 Da
Monoisotopic Mass

18.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 751.68105 300.7
[M+Na]+ 773.66299 299.9
[M+NH4]+ 768.70759 305.6
[M+K]+ 789.63693 302.4
[M-H]- 749.66649 288.1
[M+Na-2H]- 771.64844 297.4
[M]+ 750.67322 298.1
[M]- 750.67432 298.1
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.