CID 21914402

5-iodo-2-(1-pyrrolidinyl)pyridine

Structural Information

Molecular Formula

C₉H₁₁IN₂

SMILES

C1CCN(C1)C2=NC=C(C=C2)I

InChI

InChI=1S/C9H11IN2/c10-8-3-4-9(11-7-8)12-5-1-2-6-12/h3-4,7H,1-2,5-6H2

InChIKey

PAGIQNSDEQQUIO-UHFFFAOYSA-N

Compound name

5-iodo-2-pyrrolidin-1-ylpyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 34
Patents: 273.9967 Da
Monoisotopic Mass: 2.4
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]+	275.00398	137.8
[M+Na]+	296.98592	138.2
[M-H]-	272.98942	134.3
[M+NH4]+	292.03052	152.2
[M+K]+	312.95986	141.5
[M+H-H2O]+	256.99396	126.4
[M+HCOO]-	318.99490	154.0
[M+CH3COO]-	333.01055	146.6
[M+Na-2H]-	294.97137	131.3
[M]+	273.99615	132.2
[M]-	273.99725	132.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe