CID 3020470

(2,2-dimethoxyethoxy)cyclohexane

Structural Information

Molecular Formula

C₁₀H₂₀O₃

SMILES

COC(COC1CCCCC1)OC

InChI

InChI=1S/C10H20O3/c1-11-10(12-2)8-13-9-6-4-3-5-7-9/h9-10H,3-8H2,1-2H3

InChIKey

CNBQYSJVWUILKY-UHFFFAOYSA-N

Compound name

2,2-dimethoxyethoxycyclohexane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 20
Patents: 188.14125 Da
Monoisotopic Mass: 1.8
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]+	189.14853	144.0
[M+Na]+	211.13047	147.5
[M-H]-	187.13397	146.3
[M+NH4]+	206.17507	163.3
[M+K]+	227.10441	148.1
[M+H-H2O]+	171.13851	137.8
[M+HCOO]-	233.13945	163.5
[M+CH3COO]-	247.15510	182.4
[M+Na-2H]-	209.11592	147.4
[M]+	188.14070	143.7
[M]-	188.14180	143.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe