CID 131778896

Tg(8:0/17:0/15:0)

Structural Information

Molecular Formula
C43H82O6
SMILES
CCCCCCCCCCCCCCCCC(=O)O[C@@H](COC(=O)CCCCCCC)COC(=O)CCCCCCCCCCCCCC
InChI
InChI=1S/C43H82O6/c1-4-7-10-13-15-17-19-21-22-24-26-28-31-34-37-43(46)49-40(38-47-41(44)35-32-29-12-9-6-3)39-48-42(45)36-33-30-27-25-23-20-18-16-14-11-8-5-2/h40H,4-39H2,1-3H3/t40-/m0/s1
InChIKey
PPZGWJHLRFKFLS-FAIXQHPJSA-N
Compound name
[(2S)-1-octanoyloxy-3-pentadecanoyloxypropan-2-yl] heptadecanoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

694.61115 Da
Monoisotopic Mass

17.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 695.61843 285.6
[M+Na]+ 717.60037 285.3
[M+NH4]+ 712.64497 288.1
[M+K]+ 733.57431 286.8
[M-H]- 693.60387 270.6
[M+Na-2H]- 715.58582 282.6
[M]+ 694.61060 282.1
[M]- 694.61170 282.1
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.