CID 82158932

3-amino-6-bromo-2,3-dihydro-1h-inden-1-ol

Structural Information

Molecular Formula

C₉H₁₀BrNO

SMILES

C1C(C2=C(C1O)C=C(C=C2)Br)N

InChI

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

InChIKey

GAXYMVNYFVDZLO-UHFFFAOYSA-N

Compound name

3-amino-6-bromo-2,3-dihydro-1H-inden-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 226.99458 Da
Monoisotopic Mass: 0.8
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	144.6
[M+Na]+	249.98380	146.6
[M+NH4]+	245.02840	150.1
[M+K]+	265.95774	148.0
[M-H]-	225.98730	145.5
[M+Na-2H]-	247.96925	146.0
[M]+	226.99403	143.8
[M]-	226.99513	143.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe