CID 25010

Bis(2-ethylhexyl) ether

Structural Information

Molecular Formula
C16H34O
SMILES
CCCCC(CC)COCC(CC)CCCC
InChI
InChI=1S/C16H34O/c1-5-9-11-15(7-3)13-17-14-16(8-4)12-10-6-2/h15-16H,5-14H2,1-4H3
InChIKey
YHCCCMIWRBJYHG-UHFFFAOYSA-N
Compound name
3-(2-ethylhexoxymethyl)heptane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

9096
Patents

242.26097 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.26825 169.1
[M+Na]+ 265.25019 171.8
[M-H]- 241.25369 167.7
[M+NH4]+ 260.29479 186.9
[M+K]+ 281.22413 170.3
[M+H-H2O]+ 225.25823 163.0
[M+HCOO]- 287.25917 187.9
[M+CH3COO]- 301.27482 201.1
[M+Na-2H]- 263.23564 168.2
[M]+ 242.26042 174.4
[M]- 242.26152 174.4
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