CID 131811804

Tg(16:0/12:0/i-17:0)

Structural Information

Molecular Formula
C48H92O6
SMILES
CCCCCCCCCCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC
InChI
InChI=1S/C48H92O6/c1-5-7-9-11-13-15-16-17-20-24-27-31-35-39-46(49)52-42-45(54-48(51)41-37-33-29-22-14-12-10-8-6-2)43-53-47(50)40-36-32-28-25-21-18-19-23-26-30-34-38-44(3)4/h44-45H,5-43H2,1-4H3/t45-/m0/s1
InChIKey
DRWVFTBTSCJDIY-GWHBCOKCSA-N
Compound name
[(2S)-2-dodecanoyloxy-3-hexadecanoyloxypropyl] 15-methylhexadecanoate
Related CIDs

2D Structure

compound 2d structure
1
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.