CID 131754152

Tracylglycerol(15:0/16:0/15:0)

Structural Information

Molecular Formula
C49H94O6
SMILES
CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCC
InChI
InChI=1S/C49H94O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-49(52)55-46(44-53-47(50)41-38-35-32-29-26-23-20-17-14-11-8-5-2)45-54-48(51)42-39-36-33-30-27-24-21-18-15-12-9-6-3/h46H,4-45H2,1-3H3
InChIKey
PTXNRKWTGBWBEZ-UHFFFAOYSA-N
Compound name
1,3-di(pentadecanoyloxy)propan-2-yl hexadecanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

778.705 Da
Monoisotopic Mass

20.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 779.712276 300.8
[M+Na]+ 801.694218 304.7
[M-H]- 777.697724 285.1
[M+NH4]+ 796.738823 307.6
[M+K]+ 817.668158 311.5
[M+H-H2O]+ 761.702260 301.5
[M+HCOO]- 823.703201 297.8
[M+CH3COO]- 837.718851 298.9
[M+Na-2H]- 799.679666 280.5
[M]+ 778.70445142 302.1
[M]- 778.70554858 302.1
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.