CID 46840033

2287316-81-6

Structural Information

Molecular Formula

C₁₀H₁₂BrN

SMILES

C1CNCCC2=C1C=CC(=C2)Br

InChI

InChI=1S/C10H12BrN/c11-10-2-1-8-3-5-12-6-4-9(8)7-10/h1-2,7,12H,3-6H2

InChIKey

ZVNFJSFIRKPMES-UHFFFAOYSA-N

Compound name

7-bromo-2,3,4,5-tetrahydro-1H-3-benzazepine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 85
Patents: 225.0153 Da
Monoisotopic Mass: 2.5
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]+	226.02258	136.9
[M+Na]+	248.00452	139.4
[M+NH4]+	243.04912	142.3
[M+K]+	263.97846	139.6
[M-H]-	224.00802	137.8
[M+Na-2H]-	245.98997	140.6
[M]+	225.01475	136.4
[M]-	225.01585	136.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe