CID 3051499

Brn 2616520

Structural Information

Molecular Formula

C₁₂H₁₆O₄

SMILES

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

InChI

InChI=1S/C12H16O4/c1-12(2,14)11(13)8-5-6-9(15-3)10(7-8)16-4/h5-7,14H,1-4H3

InChIKey

WZZBSLNYMXSUDM-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 224.10486 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]+	225.11214	148.9
[M+Na]+	247.09408	159.9
[M+NH4]+	242.13868	155.3
[M+K]+	263.06802	156.0
[M-H]-	223.09758	148.6
[M+Na-2H]-	245.07953	153.5
[M]+	224.10431	150.2
[M]-	224.10541	150.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe