CID 10535455

2253632-74-3

Structural Information

Molecular Formula

C₉H₁₁ClN₂

SMILES

C1CNCC1C2=CN=C(C=C2)Cl

InChI

InChI=1S/C9H11ClN2/c10-9-2-1-7(6-12-9)8-3-4-11-5-8/h1-2,6,8,11H,3-5H2

InChIKey

LHJJXWWVGBSUEE-UHFFFAOYSA-N

Compound name

2-chloro-5-pyrrolidin-3-ylpyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 182.06108 Da
Monoisotopic Mass: 1.6
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]+	183.06836	137.6
[M+Na]+	205.05030	150.9
[M+NH4]+	200.09490	146.8
[M+K]+	221.02424	145.1
[M-H]-	181.05380	140.3
[M+Na-2H]-	203.03575	145.2
[M]+	182.06053	140.4
[M]-	182.06163	140.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.