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

5
Annotation Hits: 57
References: 34763
Patents: 242.26097 Da
Monoisotopic Mass: 6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	243.26825	165.3
[M+Na]+	265.25019	174.4
[M+NH4]+	260.29479	172.5
[M+K]+	281.22413	165.6
[M-H]-	241.25369	165.1
[M+Na-2H]-	263.23564	167.4
[M]+	242.26042	166.4
[M]-	242.26152	166.4

Literature stripe

literature stripe

Patent stripe

patents stripe