CID 539928

55429-68-0

Structural Information

Molecular Formula
C27H50O6
SMILES
CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)C)COC(=O)C
InChI
InChI=1S/C27H50O6/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-27(30)33-26(22-31-24(2)28)23-32-25(3)29/h26H,4-23H2,1-3H3
InChIKey
LJFXWMKIYBPHON-UHFFFAOYSA-N
Compound name
1,3-diacetyloxypropan-2-yl icosanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

470.36075 Da
Monoisotopic Mass

9.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 471.368026 225.9
[M+Na]+ 493.349968 233.6
[M-H]- 469.353474 218.6
[M+NH4]+ 488.394573 233.1
[M+K]+ 509.323908 231.4
[M+H-H2O]+ 453.358010 229.2
[M+HCOO]- 515.358951 231.5
[M+CH3COO]- 529.374601 239.5
[M+Na-2H]- 491.335416 215.0
[M]+ 470.36020142 227.4
[M]- 470.36129858 227.4
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.