CID 13063498

3-[(pyrrolidin-1-yl)sulphonyl]pyridine

Structural Information

Molecular Formula

C₉H₁₂N₂O₂S

SMILES

C1CCN(C1)S(=O)(=O)C2=CN=CC=C2

InChI

InChI=1S/C9H12N2O2S/c12-14(13,11-6-1-2-7-11)9-4-3-5-10-8-9/h3-5,8H,1-2,6-7H2

InChIKey

MXJUPPYEPZUGLP-UHFFFAOYSA-N

Compound name

3-pyrrolidin-1-ylsulfonylpyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 212.06195 Da
Monoisotopic Mass: 0.5
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]+	213.06923	145.2
[M+Na]+	235.05117	153.4
[M-H]-	211.05467	149.4
[M+NH4]+	230.09577	163.3
[M+K]+	251.02511	150.7
[M+H-H2O]+	195.05921	138.2
[M+HCOO]-	257.06015	160.9
[M+CH3COO]-	271.07580	179.6
[M+Na-2H]-	233.03662	148.7
[M]+	212.06140	144.9
[M]-	212.06250	144.9

Literature stripe

literature stripe

Patent stripe

patents stripe