CID 12084153

Schembl379081

Structural Information

Molecular Formula

C₁₄H₂₆O

SMILES

C1CCC(CC1)COCC2CCCCC2

InChI

InChI=1S/C14H26O/c1-3-7-13(8-4-1)11-15-12-14-9-5-2-6-10-14/h13-14H,1-12H2

InChIKey

RDAOUVWCVNAGHI-UHFFFAOYSA-N

Compound name

cyclohexylmethoxymethylcyclohexane

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 758
Patents: 210.19836 Da
Monoisotopic Mass: 4.8
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]+	211.20564	153.3
[M+Na]+	233.18758	153.5
[M-H]-	209.19108	157.3
[M+NH4]+	228.23218	171.1
[M+K]+	249.16152	151.5
[M+H-H2O]+	193.19562	145.8
[M+HCOO]-	255.19656	169.2
[M+CH3COO]-	269.21221	186.3
[M+Na-2H]-	231.17303	155.1
[M]+	210.19781	145.1
[M]-	210.19891	145.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe