CID 131774287

Tg(21:0/22:0/14:0)

Structural Information

Molecular Formula
C60H116O6
SMILES
CCCCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCC
InChI
InChI=1S/C60H116O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h57H,4-56H2,1-3H3/t57-/m1/s1
InChIKey
GKTPEIDFFUYNRK-ODEQYEIHSA-N
Compound name
[(2R)-1-henicosanoyloxy-3-tetradecanoyloxypropan-2-yl] docosanoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

932.8772 Da
Monoisotopic Mass

26.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 933.88448 338.7
[M+Na]+ 955.86642 336.8
[M+NH4]+ 950.91102 340.7
[M+K]+ 971.84036 341.7
[M-H]- 931.86992 318.3
[M+Na-2H]- 953.85187 330.6
[M]+ 932.87665 334.1
[M]- 932.87775 334.1
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.