CID 131771900

Tg(20:0/8:0/8:0)

Structural Information

Molecular Formula
C39H74O6
SMILES
CCCCCCCCCCCCCCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCC)OC(=O)CCCCCCC
InChI
InChI=1S/C39H74O6/c1-4-7-10-13-14-15-16-17-18-19-20-21-22-23-24-27-29-32-38(41)44-35-36(45-39(42)33-30-26-12-9-6-3)34-43-37(40)31-28-25-11-8-5-2/h36H,4-35H2,1-3H3/t36-/m1/s1
InChIKey
AQKCZHHJIILMIF-PSXMRANNSA-N
Compound name
[(2R)-2,3-di(octanoyloxy)propyl] icosanoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

638.5485 Da
Monoisotopic Mass

15.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 639.55578 272.3
[M+Na]+ 661.53772 272.3
[M+NH4]+ 656.58232 274.9
[M+K]+ 677.51166 273.1
[M-H]- 637.54122 258.6
[M+Na-2H]- 659.52317 270.6
[M]+ 638.54795 269.1
[M]- 638.54905 269.1
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.