CID 131753222

Tg(14:0/14:0/18:2(9z,12z))

Structural Information

Molecular Formula
C49H90O6
SMILES
CCCCCCCCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCC/C=C\C/C=C\CCCCC)OC(=O)CCCCCCCCCCCCC
InChI
InChI=1S/C49H90O6/c1-4-7-10-13-16-19-22-23-24-25-28-30-33-36-39-42-48(51)54-45-46(55-49(52)43-40-37-34-31-27-21-18-15-12-9-6-3)44-53-47(50)41-38-35-32-29-26-20-17-14-11-8-5-2/h16,19,23-24,46H,4-15,17-18,20-22,25-45H2,1-3H3/b19-16-,24-23-/t46-/m0/s1
InChIKey
PQNMFXNJDJFSAL-UZVIVRTPSA-N
Compound name
[(2S)-2,3-di(tetradecanoyloxy)propyl] (9Z,12Z)-octadeca-9,12-dienoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

774.67377 Da
Monoisotopic Mass

19.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 775.68105 301.0
[M+Na]+ 797.66299 301.0
[M+NH4]+ 792.70759 303.3
[M+K]+ 813.63693 303.5
[M-H]- 773.66649 285.6
[M+Na-2H]- 795.64844 297.0
[M]+ 774.67322 297.6
[M]- 774.67432 297.6
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.