CID 13607

Cyclohexyl methyl ether

Structural Information

Molecular Formula

C₇H₁₄O

SMILES

COC1CCCCC1

InChI

InChI=1S/C7H14O/c1-8-7-5-3-2-4-6-7/h7H,2-6H2,1H3

InChIKey

GHDIHPNJQVDFBL-UHFFFAOYSA-N

Compound name

methoxycyclohexane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 17503
Patents: 114.10446 Da
Monoisotopic Mass: 1.9
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]+	115.11174	123.7
[M+Na]+	137.09368	128.8
[M-H]-	113.09718	126.6
[M+NH4]+	132.13828	146.2
[M+K]+	153.06762	128.8
[M+H-H2O]+	97.101720	118.6
[M+HCOO]-	159.10266	144.8
[M+CH3COO]-	173.11831	168.5
[M+Na-2H]-	135.07913	130.1
[M]+	114.10391	120.0
[M]-	114.10501	120.0

Literature stripe

literature stripe

Patent stripe

patents stripe