CID 131778774

Tg(10:0/8:0/15:0)

Structural Information

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

2D Structure

compound 2d structure
3
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 257.8
[M+Na]+ 619.49082 264.0
[M-H]- 595.49432 247.1
[M+NH4]+ 614.53542 264.8
[M+K]+ 635.46476 265.4
[M+H-H2O]+ 579.49886 260.0
[M+HCOO]- 641.49980 259.8
[M+CH3COO]- 655.51545 264.6
[M+Na-2H]- 617.47627 242.9
[M]+ 596.50105 258.9
[M]- 596.50215 258.9
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.