CID 3016984

1-(1-methoxy-1-methylethyl)cyclohexane

Structural Information

Molecular Formula

C₁₀H₂₀O

SMILES

CC(C)(C1CCCCC1)OC

InChI

InChI=1S/C10H20O/c1-10(2,11-3)9-7-5-4-6-8-9/h9H,4-8H2,1-3H3

InChIKey

IBAJWKQKPIIFQU-UHFFFAOYSA-N

Compound name

2-methoxypropan-2-ylcyclohexane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 134
Patents: 156.15141 Da
Monoisotopic Mass: 3.1
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]+	157.158686	137.1
[M+Na]+	179.140628	141.5
[M-H]-	155.144134	139.8
[M+NH4]+	174.185233	158.1
[M+K]+	195.114568	141.0
[M+H-H2O]+	139.148670	132.1
[M+HCOO]-	201.149611	155.7
[M+CH3COO]-	215.165261	177.9
[M+Na-2H]-	177.126076	142.5
[M]+	156.15086142	134.1
[M]-	156.15195858	134.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe