CID 54459

Idazoxan

Structural Information

Molecular Formula

C₁₁H₁₂N₂O₂

SMILES

C1CN=C(N1)C2COC3=CC=CC=C3O2

InChI

InChI=1S/C11H12N2O2/c1-2-4-9-8(3-1)14-7-10(15-9)11-12-5-6-13-11/h1-4,10H,5-7H2,(H,12,13)

InChIKey

HPMRFMKYPGXPEP-UHFFFAOYSA-N

Compound name

2-(2,3-dihydro-1,4-benzodioxin-3-yl)-4,5-dihydro-1H-imidazole

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 1700
References: 6382
Patents: 204.08987 Da
Monoisotopic Mass: 0.7
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]+	205.09715	142.0
[M+Na]+	227.07909	149.0
[M-H]-	203.08259	146.3
[M+NH4]+	222.12369	157.3
[M+K]+	243.05303	147.6
[M+H-H2O]+	187.08713	134.2
[M+HCOO]-	249.08807	158.1
[M+CH3COO]-	263.10372	154.0
[M+Na-2H]-	225.06454	148.9
[M]+	204.08932	139.0
[M]-	204.09042	139.0

Literature stripe

literature stripe

Patent stripe

patents stripe