CID 131776431

Tg(i-22:0/i-22:0/i-24:0)

Structural Information

Molecular Formula
C71H138O6
SMILES
CC(C)CCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC(C)C
InChI
InChI=1S/C71H138O6/c1-65(2)57-51-45-39-33-27-21-15-9-7-8-10-18-24-30-36-42-48-54-60-69(72)75-63-68(77-71(74)62-56-50-44-38-32-26-20-14-12-17-23-29-35-41-47-53-59-67(5)6)64-76-70(73)61-55-49-43-37-31-25-19-13-11-16-22-28-34-40-46-52-58-66(3)4/h65-68H,7-64H2,1-6H3/t68-/m1/s1
InChIKey
AUCJQKGLFVYVPU-GMHPVODTSA-N
Compound name
[(2R)-2,3-bis(20-methylhenicosanoyloxy)propyl] 22-methyltricosanoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

1087.0493 Da
Monoisotopic Mass

31.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1088.0566 373.1
[M+Na]+ 1110.0385 370.2
[M+NH4]+ 1105.0831 377.2
[M+K]+ 1126.0125 377.3
[M-H]- 1086.0420 353.0
[M+Na-2H]- 1108.0240 362.7
[M]+ 1087.0488 368.9
[M]- 1087.0498 368.9
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.