CID 95997

3',5'-dimethoxyacetophenone

Structural Information

Molecular Formula

C₁₀H₁₂O₃

SMILES

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

InChI

InChI=1S/C10H12O3/c1-7(11)8-4-9(12-2)6-10(5-8)13-3/h4-6H,1-3H3

InChIKey

YJKHOUIVWKQRSL-UHFFFAOYSA-N

Compound name

1-(3,5-dimethoxyphenyl)ethanone

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 8
References: 541
Patents: 180.07864 Da
Monoisotopic Mass: 1.5
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]+	181.08592	136.6
[M+Na]+	203.06786	149.5
[M+NH4]+	198.11246	144.6
[M+K]+	219.04180	143.9
[M-H]-	179.07136	138.2
[M+Na-2H]-	201.05331	142.9
[M]+	180.07809	138.8
[M]-	180.07919	138.8

Literature stripe

literature stripe

Patent stripe

patents stripe