CID 11148

Trimyristin

Structural Information

Molecular Formula
C45H86O6
SMILES
CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC
InChI
InChI=1S/C45H86O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-43(46)49-40-42(51-45(48)39-36-33-30-27-24-21-18-15-12-9-6-3)41-50-44(47)38-35-32-29-26-23-20-17-14-11-8-5-2/h42H,4-41H2,1-3H3
InChIKey
DUXYWXYOBMKGIN-UHFFFAOYSA-N
Compound name
2,3-di(tetradecanoyloxy)propyl tetradecanoate
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

93
References

16457
Patents

722.64246 Da
Monoisotopic Mass

18.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 723.64974 288.0
[M+Na]+ 745.63168 292.6
[M-H]- 721.63518 273.8
[M+NH4]+ 740.67628 294.8
[M+K]+ 761.60562 297.7
[M+H-H2O]+ 705.63972 289.1
[M+HCOO]- 767.64066 286.5
[M+CH3COO]- 781.65631 288.6
[M+Na-2H]- 743.61713 269.3
[M]+ 722.64191 289.1
[M]- 722.64301 289.1
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

patents stripe