CID 137492

2206-38-4

Structural Information

Molecular Formula

C₁₂H₁₆O

SMILES

C1CCC(CC1)OC2=CC=CC=C2

InChI

InChI=1S/C12H16O/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1,3-4,7-8,12H,2,5-6,9-10H2

InChIKey

OSAOIDIGMBDXED-UHFFFAOYSA-N

Compound name

cyclohexyloxybenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 920
Patents: 176.12012 Da
Monoisotopic Mass: 3.7
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]+	177.12740	138.6
[M+Na]+	199.10934	142.9
[M-H]-	175.11284	144.2
[M+NH4]+	194.15394	158.0
[M+K]+	215.08328	140.7
[M+H-H2O]+	159.11738	131.6
[M+HCOO]-	221.11832	159.6
[M+CH3COO]-	235.13397	179.2
[M+Na-2H]-	197.09479	144.7
[M]+	176.11957	134.0
[M]-	176.12067	134.0

Literature stripe

literature stripe

Patent stripe

patents stripe