CID 10315

Butyrophenone

Structural Information

Molecular Formula

C₁₀H₁₂O

SMILES

CCCC(=O)C1=CC=CC=C1

InChI

InChI=1S/C10H12O/c1-2-6-10(11)9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3

InChIKey

FFSAXUULYPJSKH-UHFFFAOYSA-N

Compound name

1-phenylbutan-1-one

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 91
References: 22300
Patents: 148.08882 Da
Monoisotopic Mass: 2.5
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]+	149.09610	131.4
[M+Na]+	171.07804	144.5
[M+NH4]+	166.12264	140.6
[M+K]+	187.05198	137.4
[M-H]-	147.08154	134.0
[M+Na-2H]-	169.06349	139.2
[M]+	148.08827	134.0
[M]-	148.08937	134.0

Literature stripe

literature stripe

Patent stripe

patents stripe