CID 131803293

Tg(12:0/13:0/a-15:0)[rac]

Structural Information

Molecular Formula
C43H82O6
SMILES
CCCCCCCCCCCCC(=O)O[C@@H](COC(=O)CCCCCCCCCCC)COC(=O)CCCCCCCCCCC(C)CC
InChI
InChI=1S/C43H82O6/c1-5-8-10-12-14-16-18-24-28-32-36-43(46)49-40(37-47-41(44)34-30-26-22-17-15-13-11-9-6-2)38-48-42(45)35-31-27-23-20-19-21-25-29-33-39(4)7-3/h39-40H,5-38H2,1-4H3/t39?,40-/m0/s1
InChIKey
QWRSUHKHRHONOK-YFCYKHDGSA-N
Compound name
[(2S)-3-dodecanoyloxy-2-tridecanoyloxypropyl] 12-methyltetradecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

694.61115 Da
Monoisotopic Mass

17.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 695.61843 286.3
[M+Na]+ 717.60037 285.9
[M+NH4]+ 712.64497 289.6
[M+K]+ 733.57431 287.5
[M-H]- 693.60387 272.5
[M+Na-2H]- 715.58582 283.6
[M]+ 694.61060 283.2
[M]- 694.61170 283.2
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.