CID 131754970

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

Structural Information

Molecular Formula
C50H96O6
SMILES
CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC
InChI
InChI=1S/C50H96O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-48(51)54-45-47(56-50(53)44-41-38-35-32-27-24-21-18-15-12-9-6-3)46-55-49(52)43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h47H,4-46H2,1-3H3
InChIKey
WBWUYKOTLGYSRK-UHFFFAOYSA-N
Compound name
(3-hexadecanoyloxy-2-pentadecanoyloxypropyl) hexadecanoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

792.7207 Da
Monoisotopic Mass

21.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 793.72798 303.9
[M+Na]+ 815.70992 307.7
[M-H]- 791.71342 287.9
[M+NH4]+ 810.75452 310.7
[M+K]+ 831.68386 314.9
[M+H-H2O]+ 775.71796 304.6
[M+HCOO]- 837.71890 300.6
[M+CH3COO]- 851.73455 301.5
[M+Na-2H]- 813.69537 283.3
[M]+ 792.72015 305.3
[M]- 792.72125 305.3
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.