CID 19030151

2-methoxy-4-phenylcyclohexan-1-one

Structural Information

Molecular Formula

C₁₃H₁₆O₂

SMILES

COC1CC(CCC1=O)C2=CC=CC=C2

InChI

InChI=1S/C13H16O2/c1-15-13-9-11(7-8-12(13)14)10-5-3-2-4-6-10/h2-6,11,13H,7-9H2,1H3

InChIKey

BDWYLSNDWRACPH-UHFFFAOYSA-N

Compound name

2-methoxy-4-phenylcyclohexan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 204.11504 Da
Monoisotopic Mass: 2.1
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]+	205.12232	145.7
[M+Na]+	227.10426	159.0
[M+NH4]+	222.14886	155.0
[M+K]+	243.07820	151.4
[M-H]-	203.10776	150.2
[M+Na-2H]-	225.08971	153.6
[M]+	204.11449	148.9
[M]-	204.11559	148.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe