CID 11147

Tripalmitin

Structural Information

Molecular Formula
C51H98O6
SMILES
CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC
InChI
InChI=1S/C51H98O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-49(52)55-46-48(57-51(54)45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)47-56-50(53)44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h48H,4-47H2,1-3H3
InChIKey
PVNIQBQSYATKKL-UHFFFAOYSA-N
Compound name
2,3-di(hexadecanoyloxy)propyl hexadecanoate
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

276
References

25301
Patents

806.7363 Da
Monoisotopic Mass

21.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 807.74358 307.0
[M+Na]+ 829.72552 310.7
[M-H]- 805.72902 290.6
[M+NH4]+ 824.77012 313.8
[M+K]+ 845.69946 318.3
[M+H-H2O]+ 789.73356 307.6
[M+HCOO]- 851.73450 303.3
[M+CH3COO]- 865.75015 304.0
[M+Na-2H]- 827.71097 286.0
[M]+ 806.73575 308.5
[M]- 806.73685 308.5
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