CID 166527

80858-47-5

Structural Information

Molecular Formula

C₁₄H₂₀O

SMILES

C1CCC(CC1)OCCC2=CC=CC=C2

InChI

InChI=1S/C14H20O/c1-3-7-13(8-4-1)11-12-15-14-9-5-2-6-10-14/h1,3-4,7-8,14H,2,5-6,9-12H2

InChIKey

HLMIVULQFMULRM-UHFFFAOYSA-N

Compound name

2-cyclohexyloxyethylbenzene

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 1
References: 302
Patents: 204.15141 Da
Monoisotopic Mass: 3.8
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]+	205.15869	147.8
[M+Na]+	227.14063	151.2
[M-H]-	203.14413	152.9
[M+NH4]+	222.18523	166.1
[M+K]+	243.11457	148.5
[M+H-H2O]+	187.14867	140.3
[M+HCOO]-	249.14961	168.1
[M+CH3COO]-	263.16526	185.2
[M+Na-2H]-	225.12608	152.8
[M]+	204.15086	143.9
[M]-	204.15196	143.9

Literature stripe

literature stripe

Patent stripe

patents stripe