CID 4202301

2-(3-bromophenyl)pyrrolidine

Structural Information

Molecular Formula

C₁₀H₁₂BrN

SMILES

C1CC(NC1)C2=CC(=CC=C2)Br

InChI

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

InChIKey

FIRVFEHVSIYTIO-UHFFFAOYSA-N

Compound name

2-(3-bromophenyl)pyrrolidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 72
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	147.3
[M+Na]+	248.00452	150.1
[M+NH4]+	243.04912	152.9
[M+K]+	263.97846	150.4
[M-H]-	224.00802	149.0
[M+Na-2H]-	245.98997	151.1
[M]+	225.01475	146.9
[M]-	225.01585	146.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe