CID 73956

Bis(2-ethoxyethyl)sebacate

Structural Information

Molecular Formula
C18H34O6
SMILES
CCOCCOC(=O)CCCCCCCCC(=O)OCCOCC
InChI
InChI=1S/C18H34O6/c1-3-21-13-15-23-17(19)11-9-7-5-6-8-10-12-18(20)24-16-14-22-4-2/h3-16H2,1-2H3
InChIKey
UVRXDBUBNLXONB-UHFFFAOYSA-N
Compound name
bis(2-ethoxyethyl) decanedioate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

245
Patents

346.23553 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.24281 188.3
[M+Na]+ 369.22475 190.5
[M-H]- 345.22825 186.4
[M+NH4]+ 364.26935 198.9
[M+K]+ 385.19869 189.9
[M+H-H2O]+ 329.23279 180.8
[M+HCOO]- 391.23373 208.0
[M+CH3COO]- 405.24938 213.4
[M+Na-2H]- 367.21020 186.9
[M]+ 346.23498 200.0
[M]- 346.23608 200.0
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