CID 83679561

2172577-23-8

Structural Information

Molecular Formula

C₈H₁₀BrNO

SMILES

C1CC2=C(CNC1)C=C(O2)Br

InChI

InChI=1S/C8H10BrNO/c9-8-4-6-5-10-3-1-2-7(6)11-8/h4,10H,1-3,5H2

InChIKey

OZFQEKNJQJEZKK-UHFFFAOYSA-N

Compound name

2-bromo-5,6,7,8-tetrahydro-4H-furo[3,2-c]azepine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 214.99458 Da
Monoisotopic Mass: 1.8
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]+	216.00186	138.7
[M+Na]+	237.98380	139.8
[M+NH4]+	233.02840	143.5
[M+K]+	253.95774	142.6
[M-H]-	213.98730	139.4
[M+Na-2H]-	235.96925	140.2
[M]+	214.99403	137.9
[M]-	214.99513	137.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.