CID 131774409

Tg(a-21:0/21:0/i-24:0)[rac]

Structural Information

Molecular Formula
C69H134O6
SMILES
CCCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCCCCCCCC(C)CC
InChI
InChI=1S/C69H134O6/c1-6-8-9-10-11-12-13-14-15-16-20-24-31-36-41-46-51-56-61-69(72)75-66(63-74-68(71)60-55-50-45-40-35-30-26-25-28-33-38-43-48-53-58-65(5)7-2)62-73-67(70)59-54-49-44-39-34-29-23-21-18-17-19-22-27-32-37-42-47-52-57-64(3)4/h64-66H,6-63H2,1-5H3/t65?,66-/m1/s1
InChIKey
VCGDJWMNECRAGX-PCNFICSQSA-N
Compound name
[(2R)-2-henicosanoyloxy-3-(18-methylicosanoyloxy)propyl] 22-methyltricosanoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

1059.0181 Da
Monoisotopic Mass

31.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1060.0254 366.6
[M+Na]+ 1082.0073 363.8
[M+NH4]+ 1077.0519 369.9
[M+K]+ 1097.9813 370.5
[M-H]- 1058.0108 345.8
[M+Na-2H]- 1079.9928 356.4
[M]+ 1059.0176 362.1
[M]- 1059.0186 362.1
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.