CID 114531

13481-09-9

Structural Information

Molecular Formula

C₁₂H₁₆O₂

SMILES

CC1=CC=C(C=C1)OC2CCCCO2

InChI

InChI=1S/C12H16O2/c1-10-5-7-11(8-6-10)14-12-4-2-3-9-13-12/h5-8,12H,2-4,9H2,1H3

InChIKey

CLBYZOIXSNMRNV-UHFFFAOYSA-N

Compound name

2-(4-methylphenoxy)oxane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 76
Patents: 192.11504 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]+	193.12232	142.1
[M+Na]+	215.10426	155.7
[M+NH4]+	210.14886	151.8
[M+K]+	231.07820	148.5
[M-H]-	191.10776	148.2
[M+Na-2H]-	213.08971	150.2
[M]+	192.11449	145.9
[M]-	192.11559	145.9

Literature stripe

literature stripe

Patent stripe

patents stripe