CID 4403815

3-bromo-5-(2-pyrrolidinyl)pyridine

Structural Information

Molecular Formula

C₉H₁₁BrN₂

SMILES

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

InChI

InChI=1S/C9H11BrN2/c10-8-4-7(5-11-6-8)9-2-1-3-12-9/h4-6,9,12H,1-3H2

InChIKey

APOQHGHGEPQGOO-UHFFFAOYSA-N

Compound name

3-bromo-5-pyrrolidin-2-ylpyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 57
Patents: 226.01056 Da
Monoisotopic Mass: 0.9
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]+	227.01784	147.5
[M+Na]+	248.99978	150.3
[M+NH4]+	244.04438	152.5
[M+K]+	264.97372	151.0
[M-H]-	225.00328	148.4
[M+Na-2H]-	246.98523	151.0
[M]+	226.01001	146.8
[M]-	226.01111	146.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe