CID 77191

Pentanedioic acid, didecyl ester

Structural Information

Molecular Formula
C25H48O4
SMILES
CCCCCCCCCCOC(=O)CCCC(=O)OCCCCCCCCCC
InChI
InChI=1S/C25H48O4/c1-3-5-7-9-11-13-15-17-22-28-24(26)20-19-21-25(27)29-23-18-16-14-12-10-8-6-4-2/h3-23H2,1-2H3
InChIKey
FFPZYKQFAKXVSW-UHFFFAOYSA-N
Compound name
didecyl pentanedioate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

172
Patents

412.35526 Da
Monoisotopic Mass

9.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.36254 211.5
[M+Na]+ 435.34448 216.7
[M+NH4]+ 430.38908 220.1
[M+K]+ 451.31842 218.7
[M-H]- 411.34798 206.5
[M+Na-2H]- 433.32993 209.0
[M]+ 412.35471 210.8
[M]- 412.35581 210.8
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

patents stripe