CID 17152

Decyl ether

Structural Information

Molecular Formula

C₂₀H₄₂O

SMILES

CCCCCCCCCCOCCCCCCCCCC

InChI

InChI=1S/C20H42O/c1-3-5-7-9-11-13-15-17-19-21-20-18-16-14-12-10-8-6-4-2/h3-20H2,1-2H3

InChIKey

LTSWUFKUZPPYEG-UHFFFAOYSA-N

Compound name

1-decoxydecane

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 19
References: 9867
Patents: 298.32358 Da
Monoisotopic Mass: 9.1
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]+	299.33086	185.6
[M+Na]+	321.31280	187.0
[M-H]-	297.31630	183.2
[M+NH4]+	316.35740	201.2
[M+K]+	337.28674	183.6
[M+H-H2O]+	281.32084	178.5
[M+HCOO]-	343.32178	205.0
[M+CH3COO]-	357.33743	211.5
[M+Na-2H]-	319.29825	185.1
[M]+	298.32303	193.7
[M]-	298.32413	193.7

Literature stripe

literature stripe

Patent stripe

patents stripe