CID 1070744

Dibenzo[b,e][1,4]dioxin-2-amine

Structural Information

Molecular Formula

C₁₂H₉NO₂

SMILES

C1=CC=C2C(=C1)OC3=C(O2)C=C(C=C3)N

InChI

InChI=1S/C12H9NO2/c13-8-5-6-11-12(7-8)15-10-4-2-1-3-9(10)14-11/h1-7H,13H2

InChIKey

HEQHKDYXHRCKHZ-UHFFFAOYSA-N

Compound name

dibenzo-p-dioxin-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 14
Patents: 199.06332 Da
Monoisotopic Mass: 3.7
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]+	200.070596	138.6
[M+Na]+	222.052538	147.9
[M-H]-	198.056044	145.3
[M+NH4]+	217.097143	156.9
[M+K]+	238.026478	146.6
[M+H-H2O]+	182.060580	132.0
[M+HCOO]-	244.061521	159.4
[M+CH3COO]-	258.077171	152.5
[M+Na-2H]-	220.037986	150.1
[M]+	199.06277142	138.9
[M]-	199.06386858	138.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe