CID 16206136

Acetylguaiacolselenonic acid

Structural Information

Molecular Formula

C₉H₁₀O₆Se

SMILES

CC(=O)OC1=C(C=CC(=C1)[Se](=O)(=O)O)OC

InChI

InChI=1S/C9H10O6Se/c1-6(10)15-9-5-7(16(11,12)13)3-4-8(9)14-2/h3-5H,1-2H3,(H,11,12,13)

InChIKey

JOQITUPRNVAPRK-UHFFFAOYSA-N

Compound name

3-acetyloxy-4-methoxybenzeneselenonic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 293.96426 Da
Monoisotopic Mass: None
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]+	294.97154	154.3
[M+Na]+	316.95348	162.8
[M-H]-	292.95698	156.9
[M+NH4]+	311.99808	171.3
[M+K]+	332.92742	162.1
[M+H-H2O]+	276.96152	148.3
[M+HCOO]-	338.96246	175.7
[M+CH3COO]-	352.97811	187.0
[M+Na-2H]-	314.93893	158.9
[M]+	293.96371	159.0
[M]-	293.96481	159.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.