CID 77191

Glutaric 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

208
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 215.1
[M+Na]+ 435.34448 214.5
[M-H]- 411.34798 211.9
[M+NH4]+ 430.38908 218.3
[M+K]+ 451.31842 211.1
[M+H-H2O]+ 395.35252 206.8
[M+HCOO]- 457.35346 226.2
[M+CH3COO]- 471.36911 230.0
[M+Na-2H]- 433.32993 209.7
[M]+ 412.35471 226.5
[M]- 412.35581 226.5
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