CID 8198

Dihexyl ether

Structural Information

Molecular Formula

C₁₂H₂₆O

SMILES

CCCCCCOCCCCCC

InChI

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

InChIKey

BPIUIOXAFBGMNB-UHFFFAOYSA-N

Compound name

1-hexoxyhexane

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 46
References: 45955
Patents: 186.19836 Da
Monoisotopic Mass: 4.7
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]+	187.20564	149.4
[M+Na]+	209.18758	154.2
[M-H]-	185.19108	148.6
[M+NH4]+	204.23218	169.6
[M+K]+	225.16152	153.0
[M+H-H2O]+	169.19562	143.9
[M+HCOO]-	231.19656	171.5
[M+CH3COO]-	245.21221	187.5
[M+Na-2H]-	207.17303	153.3
[M]+	186.19781	154.5
[M]-	186.19891	154.5

Literature stripe

literature stripe

Patent stripe

patents stripe