CID 165722

Glycol diethylhexanoate

Structural Information

Molecular Formula
C18H34O4
SMILES
CCCCC(CC)C(=O)OCCOC(=O)C(CC)CCCC
InChI
InChI=1S/C18H34O4/c1-5-9-11-15(7-3)17(19)21-13-14-22-18(20)16(8-4)12-10-6-2/h15-16H,5-14H2,1-4H3
InChIKey
XCQFTFZCTGZCNP-UHFFFAOYSA-N
Compound name
2-(2-ethylhexanoyloxy)ethyl 2-ethylhexanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2134
Patents

314.2457 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.25298 181.1
[M+Na]+ 337.23492 187.1
[M+NH4]+ 332.27952 185.1
[M+K]+ 353.20886 182.6
[M-H]- 313.23842 177.8
[M+Na-2H]- 335.22037 179.7
[M]+ 314.24515 180.5
[M]- 314.24625 180.5
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