CID 156266

2-ethylhexyl decanoate

Structural Information

Molecular Formula
C18H36O2
SMILES
CCCCCCCCCC(=O)OCC(CC)CCCC
InChI
InChI=1S/C18H36O2/c1-4-7-9-10-11-12-13-15-18(19)20-16-17(6-3)14-8-5-2/h17H,4-16H2,1-3H3
InChIKey
XEYIWOWYMLEPSD-UHFFFAOYSA-N
Compound name
2-ethylhexyl decanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

635
Patents

284.27155 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.27883 176.9
[M+Na]+ 307.26077 184.5
[M+NH4]+ 302.30537 182.6
[M+K]+ 323.23471 177.2
[M-H]- 283.26427 175.3
[M+Na-2H]- 305.24622 177.1
[M]+ 284.27100 177.2
[M]- 284.27210 177.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe