CID 80809

4'-methoxyhexanophenone

Structural Information

Molecular Formula

C₁₃H₁₈O₂

SMILES

CCCCCC(=O)C1=CC=C(C=C1)OC

InChI

InChI=1S/C13H18O2/c1-3-4-5-6-13(14)11-7-9-12(15-2)10-8-11/h7-10H,3-6H2,1-2H3

InChIKey

GDNTZLJAPCYKJR-UHFFFAOYSA-N

Compound name

1-(4-methoxyphenyl)hexan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 72
Patents: 206.13068 Da
Monoisotopic Mass: 3.5
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]+	207.13796	147.6
[M+Na]+	229.11990	159.9
[M+NH4]+	224.16450	155.7
[M+K]+	245.09384	152.8
[M-H]-	205.12340	149.5
[M+Na-2H]-	227.10535	153.8
[M]+	206.13013	149.8
[M]-	206.13123	149.8

Literature stripe

literature stripe

Patent stripe

patents stripe