CID 16244404

1955562-11-4

Structural Information

Molecular Formula

C₉H₁₀BrNO

SMILES

C1COC2=C(C1N)C=CC=C2Br

InChI

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

InChIKey

HFFUBLNCTFQBSK-UHFFFAOYSA-N

Compound name

8-bromo-3,4-dihydro-2H-chromen-4-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 226.99458 Da
Monoisotopic Mass: 1.6
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	139.2
[M+Na]+	249.98380	142.8
[M+NH4]+	245.02840	145.3
[M+K]+	265.95774	142.6
[M-H]-	225.98730	142.4
[M+Na-2H]-	247.96925	142.3
[M]+	226.99403	139.5
[M]-	226.99513	139.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe