CID 131758734

Tg(14:1(9z)/14:1(9z)/18:2(9z,12z))

Structural Information

Molecular Formula
C49H86O6
SMILES
CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCC/C=C\CCCC)OC(=O)CCCCCCC/C=C\CCCC
InChI
InChI=1S/C49H86O6/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/h14-19,23-24,46H,4-13,20-22,25-45H2,1-3H3/b17-14-,18-15-,19-16-,24-23-/t46-/m0/s1
InChIKey
ZKUXYRGOHVAQTO-GJMMRMLPSA-N
Compound name
[(2S)-2,3-bis[[(Z)-tetradec-9-enoyl]oxy]propyl] (9Z,12Z)-octadeca-9,12-dienoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

770.64246 Da
Monoisotopic Mass

17.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 771.64974 296.9
[M+Na]+ 793.63168 297.8
[M+NH4]+ 788.67628 299.1
[M+K]+ 809.60562 300.1
[M-H]- 769.63518 283.0
[M+Na-2H]- 791.61713 293.7
[M]+ 770.64191 294.1
[M]- 770.64301 294.1
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.