CID 70531

1011-48-9

Structural Information

Molecular Formula

C₁₀H₁₀O₃

SMILES

CC(=O)C1COC2=CC=CC=C2O1

InChI

InChI=1S/C10H10O3/c1-7(11)10-6-12-8-4-2-3-5-9(8)13-10/h2-5,10H,6H2,1H3

InChIKey

KVCWAZWJLMNADA-UHFFFAOYSA-N

Compound name

1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 76
Patents: 178.06299 Da
Monoisotopic Mass: 1.6
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]+	179.07027	134.5
[M+Na]+	201.05221	148.0
[M+NH4]+	196.09681	143.6
[M+K]+	217.02615	142.6
[M-H]-	177.05571	139.6
[M+Na-2H]-	199.03766	139.9
[M]+	178.06244	137.9
[M]-	178.06354	137.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.