CID 59106152

883143-64-4

Structural Information

Molecular Formula

C₉H₁₀BrNO

SMILES

C1C(OC2=C1C=C(C=C2)Br)CN

InChI

InChI=1S/C9H10BrNO/c10-7-1-2-9-6(3-7)4-8(5-11)12-9/h1-3,8H,4-5,11H2

InChIKey

ORIKFZRVWPCELV-UHFFFAOYSA-N

Compound name

(5-bromo-2,3-dihydro-1-benzofuran-2-yl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 226.99458 Da
Monoisotopic Mass: 1.7
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]+	228.00186	144.3
[M+Na]+	249.98380	146.8
[M+NH4]+	245.02840	150.0
[M+K]+	265.95774	148.1
[M-H]-	225.98730	146.7
[M+Na-2H]-	247.96925	146.0
[M]+	226.99403	144.0
[M]-	226.99513	144.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe