CID 7185

2,2'-ethylenedioxydiethyl bis(2-ethylhexanoate)

Structural Information

Molecular Formula
C22H42O6
SMILES
CCCCC(CC)C(=O)OCCOCCOCCOC(=O)C(CC)CCCC
InChI
InChI=1S/C22H42O6/c1-5-9-11-19(7-3)21(23)27-17-15-25-13-14-26-16-18-28-22(24)20(8-4)12-10-6-2/h19-20H,5-18H2,1-4H3
InChIKey
FRQDZJMEHSJOPU-UHFFFAOYSA-N
Compound name
2-[2-[2-(2-ethylhexanoyloxy)ethoxy]ethoxy]ethyl 2-ethylhexanoate
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

0
References

9378
Patents

402.29813 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.30541 207.3
[M+Na]+ 425.28735 217.5
[M-H]- 401.29085 203.3
[M+NH4]+ 420.33195 216.6
[M+K]+ 441.26129 207.0
[M+H-H2O]+ 385.29539 199.5
[M+HCOO]- 447.29633 216.4
[M+CH3COO]- 461.31198 226.6
[M+Na-2H]- 423.27280 201.3
[M]+ 402.29758 211.6
[M]- 402.29868 211.6
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

No patent data available for this compound.