CID 131778769

Tg(8:0/20:0/19:0)

Structural Information

Molecular Formula
C50H96O6
SMILES
CCCCCCCCCCCCCCCCCCCC(=O)O[C@@H](COC(=O)CCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCC
InChI
InChI=1S/C50H96O6/c1-4-7-10-13-15-17-19-21-23-25-27-29-31-33-35-38-41-44-50(53)56-47(45-54-48(51)42-39-36-12-9-6-3)46-55-49(52)43-40-37-34-32-30-28-26-24-22-20-18-16-14-11-8-5-2/h47H,4-46H2,1-3H3/t47-/m0/s1
InChIKey
KZFGNGBOWOMCQA-MFERNQICSA-N
Compound name
[(2S)-1-nonadecanoyloxy-3-octanoyloxypropan-2-yl] icosanoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

792.7207 Da
Monoisotopic Mass

21.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 793.72798 308.2
[M+Na]+ 815.70992 307.2
[M+NH4]+ 810.75452 310.5
[M+K]+ 831.68386 310.1
[M-H]- 791.71342 290.9
[M+Na-2H]- 813.69537 303.0
[M]+ 792.72015 304.2
[M]- 792.72125 304.2
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.