CID 109644

Decyl ethyl ether

Structural Information

Molecular Formula

C₁₂H₂₆O

SMILES

CCCCCCCCCCOCC

InChI

InChI=1S/C12H26O/c1-3-5-6-7-8-9-10-11-12-13-4-2/h3-12H2,1-2H3

InChIKey

LOLANUHFGPZTLQ-UHFFFAOYSA-N

Compound name

1-ethoxydecane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 2265
Patents: 186.19836 Da
Monoisotopic Mass: 4.9
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]+	187.205636	149.4
[M+Na]+	209.187578	154.2
[M-H]-	185.191084	148.6
[M+NH4]+	204.232183	169.6
[M+K]+	225.161518	153.0
[M+H-H2O]+	169.195620	143.9
[M+HCOO]-	231.196561	171.5
[M+CH3COO]-	245.212211	187.5
[M+Na-2H]-	207.173026	153.3
[M]+	186.19781142	154.5
[M]-	186.19890858	154.5

Literature stripe

literature stripe

Patent stripe

patents stripe