CID 9843180

Diethylene glycol diisononanoate

Structural Information

Molecular Formula
C22H42O5
SMILES
CC(C)CCCCCC(=O)OCCOCCOC(=O)CCCCCC(C)C
InChI
InChI=1S/C22H42O5/c1-19(2)11-7-5-9-13-21(23)26-17-15-25-16-18-27-22(24)14-10-6-8-12-20(3)4/h19-20H,5-18H2,1-4H3
InChIKey
FWIUBOWVXREPPL-UHFFFAOYSA-N
Compound name
2-[2-(7-methyloctanoyloxy)ethoxy]ethyl 7-methyloctanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5399
Patents

386.30322 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.31050 200.5
[M+Na]+ 409.29244 205.2
[M+NH4]+ 404.33704 215.5
[M+K]+ 425.26638 211.7
[M-H]- 385.29594 203.5
[M+Na-2H]- 407.27789 197.7
[M]+ 386.30267 199.4
[M]- 386.30377 199.4
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

patents stripe