CID 11460

3'-methoxyacetophenone

Structural Information

Molecular Formula

C₉H₁₀O₂

SMILES

CC(=O)C1=CC(=CC=C1)OC

InChI

InChI=1S/C9H10O2/c1-7(10)8-4-3-5-9(6-8)11-2/h3-6H,1-2H3

InChIKey

BAYUSCHCCGXLAY-UHFFFAOYSA-N

Compound name

1-(3-methoxyphenyl)ethanone

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 10
References: 3699
Patents: 150.06808 Da
Monoisotopic Mass: 1.8
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]+	151.07536	128.2
[M+Na]+	173.05730	136.7
[M-H]-	149.06080	132.4
[M+NH4]+	168.10190	149.7
[M+K]+	189.03124	135.8
[M+H-H2O]+	133.06534	122.9
[M+HCOO]-	195.06628	152.6
[M+CH3COO]-	209.08193	176.4
[M+Na-2H]-	171.04275	134.7
[M]+	150.06753	130.2
[M]-	150.06863	130.2

Literature stripe

literature stripe

Patent stripe

patents stripe