CID 3837306

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

Structural Information

Molecular Formula

C₉H₁₀N₂O₃

SMILES

C1COC2=C(O1)C=CC(=C2)NC(=O)N

InChI

InChI=1S/C9H10N2O3/c10-9(12)11-6-1-2-7-8(5-6)14-4-3-13-7/h1-2,5H,3-4H2,(H3,10,11,12)

InChIKey

KMJYTNSDHAFJCK-UHFFFAOYSA-N

Compound name

2,3-dihydro-1,4-benzodioxin-6-ylurea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 0
Patents: 194.06914 Da
Monoisotopic Mass: 0.2
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]+	195.07642	140.4
[M+Na]+	217.05836	151.1
[M+NH4]+	212.10296	148.3
[M+K]+	233.03230	146.8
[M-H]-	193.06186	145.6
[M+Na-2H]-	215.04381	144.6
[M]+	194.06859	143.1
[M]-	194.06969	143.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.