CID 131772890

Tg(20:0/22:0/17:0)

Structural Information

Molecular Formula
C62H120O6
SMILES
CCCCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCC
InChI
InChI=1S/C62H120O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59(57-66-60(63)54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h59H,4-58H2,1-3H3/t59-/m1/s1
InChIKey
ONGFRUWSYLOJGV-OBEXFZABSA-N
Compound name
[(2R)-1-heptadecanoyloxy-3-icosanoyloxypropan-2-yl] docosanoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

960.9085 Da
Monoisotopic Mass

27.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 961.91578 344.6
[M+Na]+ 983.89772 342.5
[M+NH4]+ 978.94232 346.5
[M+K]+ 999.87166 347.8
[M-H]- 959.90122 323.5
[M+Na-2H]- 981.88317 335.8
[M]+ 960.90795 339.8
[M]- 960.90905 339.8
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.