CID 645715

85084-37-3

Structural Information

Molecular Formula

C₉H₁₀N₂O₃

SMILES

C1C(OC2=CC=CC=C2O1)C(=NO)N

InChI

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

InChIKey

AINNARSDQRBELY-UHFFFAOYSA-N

Compound name

N'-hydroxy-2,3-dihydro-1,4-benzodioxine-3-carboximidamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 1
Patents: 194.06914 Da
Monoisotopic Mass: 1.0
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.