CID 131757318

Tg 22:0_22:0_24:0

Structural Information

Molecular Formula
C71H138O6
SMILES
CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC
InChI
InChI=1S/C71H138O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-40-43-46-49-52-55-58-61-64-70(73)76-67-68(77-71(74)65-62-59-56-53-50-47-44-41-37-33-30-27-24-21-18-15-12-9-6-3)66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h68H,4-67H2,1-3H3/t68-/m0/s1
InChIKey
SLDFFJSIWXKZJR-JCXMEWFRSA-N
Compound name
[(2S)-2,3-di(docosanoyloxy)propyl] tetracosanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

1087.0493 Da
Monoisotopic Mass

32.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1088.0566 364.3
[M+Na]+ 1110.0385 364.9
[M-H]- 1086.0420 340.8
[M+NH4]+ 1105.0831 371.3
[M+K]+ 1126.0125 380.5
[M+H-H2O]+ 1070.0466 363.4
[M+HCOO]- 1132.0475 353.8
[M+CH3COO]- 1146.0632 350.8
[M+Na-2H]- 1108.0240 336.7
[M]+ 1087.0488 368.7
[M]- 1087.0498 368.7
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.