CID 326186

23121-32-6

Structural Information

Molecular Formula

C₁₁H₁₄O₄

SMILES

CC1=C(C(=C(C=C1OC)OC)C(=O)C)O

InChI

InChI=1S/C11H14O4/c1-6-8(14-3)5-9(15-4)10(7(2)12)11(6)13/h5,13H,1-4H3

InChIKey

AAOFJKLTRKOQTQ-UHFFFAOYSA-N

Compound name

1-(2-hydroxy-4,6-dimethoxy-3-methylphenyl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 210.0892 Da
Monoisotopic Mass: 2.1
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]+	211.09648	144.1
[M+Na]+	233.07842	156.5
[M+NH4]+	228.12302	151.0
[M+K]+	249.05236	151.9
[M-H]-	209.08192	144.7
[M+Na-2H]-	231.06387	148.6
[M]+	210.08865	145.9
[M]-	210.08975	145.9

Literature stripe

literature stripe

Patent stripe

patents stripe