CID 131773033

Tg(21:0/i-15:0/i-21:0)

Structural Information

Molecular Formula
C60H116O6
SMILES
CCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC(C)C
InChI
InChI=1S/C60H116O6/c1-6-7-8-9-10-11-12-13-14-15-16-19-22-25-30-35-40-45-50-58(61)64-53-57(66-60(63)52-47-42-37-32-27-29-34-39-44-49-56(4)5)54-65-59(62)51-46-41-36-31-26-23-20-17-18-21-24-28-33-38-43-48-55(2)3/h55-57H,6-54H2,1-5H3/t57-/m1/s1
InChIKey
BFYWMGMNLNAICS-ODEQYEIHSA-N
Compound name
[(2R)-3-(19-methylicosanoyloxy)-2-(13-methyltetradecanoyloxy)propyl] henicosanoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

932.8772 Da
Monoisotopic Mass

26.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 933.88448 340.7
[M+Na]+ 955.86642 338.7
[M+NH4]+ 950.91102 344.3
[M+K]+ 971.84036 343.7
[M-H]- 931.86992 322.7
[M+Na-2H]- 953.85187 333.1
[M]+ 932.87665 336.8
[M]- 932.87775 336.8
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.