CID 111843

Ethyl hexyl ether

Structural Information

Molecular Formula

C₈H₁₈O

SMILES

CCCCCCOCC

InChI

InChI=1S/C8H18O/c1-3-5-6-7-8-9-4-2/h3-8H2,1-2H3

InChIKey

ZXHQLEQLZPJIFG-UHFFFAOYSA-N

Compound name

1-ethoxyhexane

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 3
References: 8041
Patents: 130.13577 Da
Monoisotopic Mass: 2.9
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]+	131.143046	130.9
[M+Na]+	153.124988	137.3
[M-H]-	129.128494	130.9
[M+NH4]+	148.169593	153.3
[M+K]+	169.098928	137.2
[M+H-H2O]+	113.133030	126.3
[M+HCOO]-	175.133971	154.3
[M+CH3COO]-	189.149621	175.4
[M+Na-2H]-	151.110436	137.1
[M]+	130.13522142	134.5
[M]-	130.13631858	134.5

Literature stripe

literature stripe

Patent stripe

patents stripe