CID 16244432

1242882-41-2

Structural Information

Molecular Formula

C₉H₁₀BrNO

SMILES

C1C(COC2=C1C=C(C=C2)Br)N

InChI

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

InChIKey

BUFGYKCIZBYJSH-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 19
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	142.0
[M+Na]+	249.98380	152.7
[M-H]-	225.98730	149.1
[M+NH4]+	245.02840	163.1
[M+K]+	265.95774	142.6
[M+H-H2O]+	209.99184	141.9
[M+HCOO]-	271.99278	160.8
[M+CH3COO]-	286.00843	156.8
[M+Na-2H]-	247.96925	150.7
[M]+	226.99403	157.7
[M]-	226.99513	157.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe