CID 3146107

99068-59-4

Structural Information

Molecular Formula

C₁₀H₁₂N₂O₃

SMILES

CC(=O)NC1=CC2=C(C=C1N)OCCO2

InChI

InChI=1S/C10H12N2O3/c1-6(13)12-8-5-10-9(4-7(8)11)14-2-3-15-10/h4-5H,2-3,11H2,1H3,(H,12,13)

InChIKey

LJXBBVIIWHUUSY-UHFFFAOYSA-N

Compound name

N-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 208.0848 Da
Monoisotopic Mass: 0.1
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]+	209.092076	144.8
[M+Na]+	231.074018	151.5
[M-H]-	207.077524	150.1
[M+NH4]+	226.118623	161.3
[M+K]+	247.047958	151.8
[M+H-H2O]+	191.082060	138.1
[M+HCOO]-	253.083001	165.3
[M+CH3COO]-	267.098651	190.1
[M+Na-2H]-	229.059466	152.3
[M]+	208.08425142	143.5
[M]-	208.08534858	143.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.