CID 131759665

Tg(16:1(9z)/22:2(13z,16z)/16:1(9z))

Structural Information

Molecular Formula
C57H102O6
SMILES
CCCCCC/C=C\CCCCCCCC(=O)OCC(OC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCCCCCC/C=C\CCCCCC
InChI
InChI=1S/C57H102O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-31-23-20-17-14-11-8-5-2)53-62-56(59)50-47-44-41-38-35-32-24-21-18-15-12-9-6-3/h16,19-21,23-26,54H,4-15,17-18,22,27-53H2,1-3H3/b19-16-,23-20-,24-21-,26-25-
InChIKey
FLBFFPPBNOZWBA-BGWVPBAESA-N
Compound name
1,3-bis[[(Z)-hexadec-9-enoyl]oxy]propan-2-yl (13Z,16Z)-docosa-13,16-dienoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

882.76764 Da
Monoisotopic Mass

21.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 883.77492 322.6
[M+Na]+ 905.75686 322.8
[M+NH4]+ 900.80146 324.7
[M+K]+ 921.73080 326.6
[M-H]- 881.76036 306.2
[M+Na-2H]- 903.74231 317.0
[M]+ 882.76709 319.3
[M]- 882.76819 319.3
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.