CID 131773602

Tg(i-21:0/16:0/8:0)

Structural Information

Molecular Formula
C48H92O6
SMILES
CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCC(C)C
InChI
InChI=1S/C48H92O6/c1-5-7-9-11-12-13-14-18-23-26-29-33-37-41-48(51)54-45(42-52-46(49)39-35-30-10-8-6-2)43-53-47(50)40-36-32-28-25-22-20-17-15-16-19-21-24-27-31-34-38-44(3)4/h44-45H,5-43H2,1-4H3/t45-/m1/s1
InChIKey
KZQVMVCCUBCFOU-WBVITSLISA-N
Compound name
[(2R)-2-hexadecanoyloxy-3-octanoyloxypropyl] 19-methylicosanoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

764.6894 Da
Monoisotopic Mass

20.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 765.69668 302.6
[M+Na]+ 787.67862 301.8
[M+NH4]+ 782.72322 305.8
[M+K]+ 803.65256 304.4
[M-H]- 763.68212 287.2
[M+Na-2H]- 785.66407 298.4
[M]+ 764.68885 299.2
[M]- 764.68995 299.2
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.