CID 131766580

Tetracosanoic acid, 2-hydroxy-1,3-propanediyl ester

Structural Information

Molecular Formula
C51H100O5
SMILES
CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)O
InChI
InChI=1S/C51H100O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-50(53)55-47-49(52)48-56-51(54)46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h49,52H,3-48H2,1-2H3
InChIKey
FVVAKYSCTIVMFI-UHFFFAOYSA-N
Compound name
(2-hydroxy-3-tetracosanoyloxypropyl) tetracosanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

792.7571 Da
Monoisotopic Mass

22.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 793.76438 305.7
[M+Na]+ 815.74632 307.6
[M-H]- 791.74982 285.8
[M+NH4]+ 810.79092 307.4
[M+K]+ 831.72026 315.4
[M+H-H2O]+ 775.75436 304.2
[M+HCOO]- 837.75530 301.8
[M+CH3COO]- 851.77095 300.9
[M+Na-2H]- 813.73177 283.1
[M]+ 792.75655 305.4
[M]- 792.75765 305.4
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.