CID 131803009

Tg(12:0/8:0/13:0)

Structural Information

Molecular Formula
C36H68O6
SMILES
CCCCCCCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCCCCCC)OC(=O)CCCCCCC
InChI
InChI=1S/C36H68O6/c1-4-7-10-13-15-17-19-21-24-26-29-35(38)41-32-33(42-36(39)30-27-22-12-9-6-3)31-40-34(37)28-25-23-20-18-16-14-11-8-5-2/h33H,4-32H2,1-3H3/t33-/m0/s1
InChIKey
QAGAXYQPECHTQV-XIFFEERXSA-N
Compound name
[(2S)-3-dodecanoyloxy-2-octanoyloxypropyl] tridecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

596.5016 Da
Monoisotopic Mass

13.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 597.50888 262.1
[M+Na]+ 619.49082 262.4
[M+NH4]+ 614.53542 264.9
[M+K]+ 635.46476 262.7
[M-H]- 595.49432 249.4
[M+Na-2H]- 617.47627 261.4
[M]+ 596.50105 259.1
[M]- 596.50215 259.1
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.