CID 4347015

2,2-dimethoxycyclohexanol

Structural Information

Molecular Formula

C₈H₁₆O₃

SMILES

COC1(CCCCC1O)OC

InChI

InChI=1S/C8H16O3/c1-10-8(11-2)6-4-3-5-7(8)9/h7,9H,3-6H2,1-2H3

InChIKey

RXAMIWOJDOJSTB-UHFFFAOYSA-N

Compound name

2,2-dimethoxycyclohexan-1-ol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 39
Patents: 160.10994 Da
Monoisotopic Mass: 0.5
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]+	161.117216	134.1
[M+Na]+	183.099158	140.2
[M-H]-	159.102664	136.1
[M+NH4]+	178.143763	156.3
[M+K]+	199.073098	140.1
[M+H-H2O]+	143.107200	129.7
[M+HCOO]-	205.108141	153.8
[M+CH3COO]-	219.123791	173.5
[M+Na-2H]-	181.084606	139.9
[M]+	160.10939142	132.6
[M]-	160.11048858	132.6

Literature stripe

literature stripe

Patent stripe

patents stripe