CID 76143

2879-20-1

Structural Information

Molecular Formula

C₁₀H₁₀O₃

SMILES

CC(=O)C1=CC2=C(C=C1)OCCO2

InChI

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

InChIKey

HGVWMTAIIYNQSI-UHFFFAOYSA-N

Compound name

1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 3
References: 491
Patents: 178.06299 Da
Monoisotopic Mass: 0.5
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]+	179.07027	134.0
[M+Na]+	201.05221	141.5
[M-H]-	177.05571	139.8
[M+NH4]+	196.09681	152.4
[M+K]+	217.02615	142.4
[M+H-H2O]+	161.06025	128.2
[M+HCOO]-	223.06119	153.3
[M+CH3COO]-	237.07684	179.9
[M+Na-2H]-	199.03766	142.9
[M]+	178.06244	134.8
[M]-	178.06354	134.8

Literature stripe

literature stripe

Patent stripe

patents stripe