CID 12399

Dioctyl ether

Structural Information

Molecular Formula
C16H34O
SMILES
CCCCCCCCOCCCCCCCC
InChI
InChI=1S/C16H34O/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3-16H2,1-2H3
InChIKey
NKJOXAZJBOMXID-UHFFFAOYSA-N
Compound name
1-octoxyoctane
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

57
References

37084
Patents

242.26097 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.26825 167.7
[M+Na]+ 265.25019 170.7
[M-H]- 241.25369 166.1
[M+NH4]+ 260.29479 185.6
[M+K]+ 281.22413 168.4
[M+H-H2O]+ 225.25823 161.3
[M+HCOO]- 287.25917 188.4
[M+CH3COO]- 301.27482 199.5
[M+Na-2H]- 263.23564 169.4
[M]+ 242.26042 174.3
[M]- 242.26152 174.3
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