CID 71664498

Triglycerin dioleate

Structural Information

Molecular Formula
C45H84O9
SMILES
CCCCCCCC/C=C\CCCCCCCC(=O)OCC(O)COCC(O)COCC(O)COC(=O)CCCCCCC/C=C\CCCCCCCC
InChI
InChI=1S/C45H84O9/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-44(49)53-39-42(47)37-51-35-41(46)36-52-38-43(48)40-54-45(50)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,41-43,46-48H,3-16,21-40H2,1-2H3/b19-17-,20-18-
InChIKey
YEEQKYXTAGPUBU-CLFAGFIQSA-N
Compound name
[2-hydroxy-3-[2-hydroxy-3-[2-hydroxy-3-[(Z)-octadec-9-enoyl]oxypropoxy]propoxy]propyl] (Z)-octadec-9-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

768.6115 Da
Monoisotopic Mass

12.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 769.61878 293.3
[M+Na]+ 791.60072 292.6
[M+NH4]+ 786.64532 295.9
[M+K]+ 807.57466 295.3
[M-H]- 767.60422 281.9
[M+Na-2H]- 789.58617 290.5
[M]+ 768.61095 290.7
[M]- 768.61205 290.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.