CID 3086489

103124-99-8

Structural Information

Molecular Formula

C₁₀H₁₁N₃O₂

SMILES

C1CN=C(N1)NC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C10H11N3O2/c1-2-8-9(15-6-14-8)5-7(1)13-10-11-3-4-12-10/h1-2,5H,3-4,6H2,(H2,11,12,13)

InChIKey

YSPUUFZLWUWKHF-UHFFFAOYSA-N

Compound name

N-(1,3-benzodioxol-5-yl)-4,5-dihydro-1H-imidazol-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 4
Patents: 205.08513 Da
Monoisotopic Mass: 0.4
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]+	206.09241	142.7
[M+Na]+	228.07435	153.5
[M+NH4]+	223.11895	150.6
[M+K]+	244.04829	152.5
[M-H]-	204.07785	147.5
[M+Na-2H]-	226.05980	147.3
[M]+	205.08458	145.3
[M]-	205.08568	145.3

Literature stripe

literature stripe

Patent stripe

patents stripe