CID 110527

Trimethylolpropane dinonanoate

Structural Information

Molecular Formula
C24H46O5
SMILES
CCCCCCCCC(=O)OCC(CC)(CO)COC(=O)CCCCCCCC
InChI
InChI=1S/C24H46O5/c1-4-7-9-11-13-15-17-22(26)28-20-24(6-3,19-25)21-29-23(27)18-16-14-12-10-8-5-2/h25H,4-21H2,1-3H3
InChIKey
OSWACFGNXYGNIT-UHFFFAOYSA-N
Compound name
[2-(hydroxymethyl)-2-(nonanoyloxymethyl)butyl] nonanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

414.33453 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.34181 209.1
[M+Na]+ 437.32375 214.1
[M+NH4]+ 432.36835 213.6
[M+K]+ 453.29769 210.7
[M-H]- 413.32725 201.1
[M+Na-2H]- 435.30920 205.8
[M]+ 414.33398 209.2
[M]- 414.33508 209.2
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.