CID 10265873

2c-b-fly

Structural Information

Molecular Formula

C₁₂H₁₄BrNO₂

SMILES

C1COC2=C(C3=C(C(=C21)CCN)OCC3)Br

InChI

InChI=1S/C12H14BrNO2/c13-10-9-3-6-15-11(9)7(1-4-14)8-2-5-16-12(8)10/h1-6,14H2

InChIKey

YZDFADGMVOSVIX-UHFFFAOYSA-N

Compound name

2-(4-bromo-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)ethanamine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 4
References: 52
Patents: 283.02078 Da
Monoisotopic Mass: 1.9
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]+	284.02806	163.1
[M+Na]+	306.01000	174.6
[M-H]-	282.01350	171.7
[M+NH4]+	301.05460	185.3
[M+K]+	321.98394	165.3
[M+H-H2O]+	266.01804	164.3
[M+HCOO]-	328.01898	181.3
[M+CH3COO]-	342.03463	177.5
[M+Na-2H]-	303.99545	167.7
[M]+	283.02023	182.1
[M]-	283.02133	182.1

Literature stripe

literature stripe

Patent stripe

patents stripe