CID 131774540

Tg(21:0/i-24:0/14:0)

Structural Information

Molecular Formula
C62H120O6
SMILES
CCCCCCCCCCCCCCCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C
InChI
InChI=1S/C62H120O6/c1-5-7-9-11-13-15-17-18-19-20-24-27-30-34-38-42-46-50-54-61(64)67-57-59(56-66-60(63)53-49-45-41-37-32-16-14-12-10-8-6-2)68-62(65)55-51-47-43-39-35-31-28-25-22-21-23-26-29-33-36-40-44-48-52-58(3)4/h58-59H,5-57H2,1-4H3/t59-/m1/s1
InChIKey
TZUMZEDOVCDXIP-OBEXFZABSA-N
Compound name
[(2R)-1-henicosanoyloxy-3-tetradecanoyloxypropan-2-yl] 22-methyltricosanoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

960.9085 Da
Monoisotopic Mass

27.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 961.91578 338.9
[M+Na]+ 983.89772 341.4
[M-H]- 959.90122 320.1
[M+NH4]+ 978.94232 347.4
[M+K]+ 999.87166 353.9
[M+H-H2O]+ 943.90576 339.2
[M+HCOO]- 1005.9067 329.0
[M+CH3COO]- 1019.9224 331.1
[M+Na-2H]- 981.88317 314.8
[M]+ 960.90795 342.0
[M]- 960.90905 342.0
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.