CID 26422

14046-55-0

Structural Information

Molecular Formula

C₁₂H₁₆O₃

SMILES

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

InChI

InChI=1S/C12H16O3/c1-8(2)12(13)9-5-6-10(14-3)11(7-9)15-4/h5-8H,1-4H3

InChIKey

FGVRUUHJVIWSEN-UHFFFAOYSA-N

Compound name

1-(3,4-dimethoxyphenyl)-2-methylpropan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 97
Patents: 208.10994 Da
Monoisotopic Mass: 2.8
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]+	209.11722	145.5
[M+Na]+	231.09916	157.7
[M+NH4]+	226.14376	153.1
[M+K]+	247.07310	152.4
[M-H]-	207.10266	146.8
[M+Na-2H]-	229.08461	151.0
[M]+	208.10939	147.5
[M]-	208.11049	147.5

Literature stripe

literature stripe

Patent stripe

patents stripe