CID 165071

1-(2,3-dimethoxyphenyl)propan-2-one

Structural Information

Molecular Formula

C₁₁H₁₄O₃

SMILES

CC(=O)CC1=C(C(=CC=C1)OC)OC

InChI

InChI=1S/C11H14O3/c1-8(12)7-9-5-4-6-10(13-2)11(9)14-3/h4-6H,7H2,1-3H3

InChIKey

SYYURZPSSGNDQQ-UHFFFAOYSA-N

Compound name

1-(2,3-dimethoxyphenyl)propan-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 36
Patents: 194.0943 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]+	195.10158	141.1
[M+Na]+	217.08352	153.8
[M+NH4]+	212.12812	149.0
[M+K]+	233.05746	147.9
[M-H]-	193.08702	142.6
[M+Na-2H]-	215.06897	147.2
[M]+	194.09375	143.3
[M]-	194.09485	143.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe