CID 131758727

Tg(14:1(9z)/14:1(9z)/16:1(9z))

Structural Information

Molecular Formula
C47H84O6
SMILES
CCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCC/C=C\CCCC)OC(=O)CCCCCCC/C=C\CCCC
InChI
InChI=1S/C47H84O6/c1-4-7-10-13-16-19-22-23-26-28-31-34-37-40-46(49)52-43-44(53-47(50)41-38-35-32-29-25-21-18-15-12-9-6-3)42-51-45(48)39-36-33-30-27-24-20-17-14-11-8-5-2/h14-15,17-19,22,44H,4-13,16,20-21,23-43H2,1-3H3/b17-14-,18-15-,22-19-/t44-/m0/s1
InChIKey
SVKNSUKRPRJLMQ-QSDZTSERSA-N
Compound name
[(2S)-2,3-bis[[(Z)-tetradec-9-enoyl]oxy]propyl] (Z)-hexadec-9-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

744.6268 Da
Monoisotopic Mass

17.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 745.63408 292.3
[M+Na]+ 767.61602 293.0
[M+NH4]+ 762.66062 294.7
[M+K]+ 783.58996 295.0
[M-H]- 743.61952 278.4
[M+Na-2H]- 765.60147 289.4
[M]+ 744.62625 289.4
[M]- 744.62735 289.4
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.