CID 23579

2'-pentyloxyacetophenone

Structural Information

Molecular Formula

C₁₃H₁₈O₂

SMILES

CCCCCOC1=CC=CC=C1C(=O)C

InChI

InChI=1S/C13H18O2/c1-3-4-7-10-15-13-9-6-5-8-12(13)11(2)14/h5-6,8-9H,3-4,7,10H2,1-2H3

InChIKey

DHDSALKEOLDSSE-UHFFFAOYSA-N

Compound name

1-(2-pentoxyphenyl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 181
Patents: 206.13068 Da
Monoisotopic Mass: 3.6
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

No literature data available for this compound.

Patent stripe

patents stripe