CID 74279

1,1-diethoxycyclohexane

Structural Information

Molecular Formula

C₁₀H₂₀O₂

SMILES

CCOC1(CCCCC1)OCC

InChI

InChI=1S/C10H20O2/c1-3-11-10(12-4-2)8-6-5-7-9-10/h3-9H2,1-2H3

InChIKey

MWUDABUKTZAZCX-UHFFFAOYSA-N

Compound name

1,1-diethoxycyclohexane

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 3
References: 898
Patents: 172.14633 Da
Monoisotopic Mass: 2.4
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]+	173.15361	140.4
[M+Na]+	195.13555	145.1
[M-H]-	171.13905	143.0
[M+NH4]+	190.18015	162.5
[M+K]+	211.10949	145.0
[M+H-H2O]+	155.14359	135.2
[M+HCOO]-	217.14453	160.7
[M+CH3COO]-	231.16018	179.1
[M+Na-2H]-	193.12100	146.1
[M]+	172.14578	139.5
[M]-	172.14688	139.5

Literature stripe

literature stripe

Patent stripe

patents stripe