CID 12820

708-53-2

Structural Information

Molecular Formula

C₉H₁₀O₄

SMILES

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

InChI

InChI=1S/C9H10O4/c1-5(10)6-3-4-7(13-2)9(12)8(6)11/h3-4,11-12H,1-2H3

InChIKey

VCONERRCKOKCHE-UHFFFAOYSA-N

Compound name

1-(2,3-dihydroxy-4-methoxyphenyl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 162
Patents: 182.0579 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]+	183.06518	136.1
[M+Na]+	205.04712	147.9
[M+NH4]+	200.09172	142.9
[M+K]+	221.02106	143.9
[M-H]-	181.05062	136.1
[M+Na-2H]-	203.03257	140.7
[M]+	182.05735	137.5
[M]-	182.05845	137.5

Literature stripe

literature stripe

Patent stripe

patents stripe