CID 94340165

1824925-72-5

Structural Information

Molecular Formula

C₉H₁₃N₃O₂S

SMILES

C1CN(C[C@@H]1N)S(=O)(=O)C2=CN=CC=C2

InChI

InChI=1S/C9H13N3O2S/c10-8-3-5-12(7-8)15(13,14)9-2-1-4-11-6-9/h1-2,4,6,8H,3,5,7,10H2/t8-/m1/s1

InChIKey

QHYUZXSQLBPIRR-MRVPVSSYSA-N

Compound name

(3R)-1-pyridin-3-ylsulfonylpyrrolidin-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 227.07285 Da
Monoisotopic Mass: -0.7
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]+	228.080126	148.6
[M+Na]+	250.062068	156.6
[M-H]-	226.065574	152.5
[M+NH4]+	245.106673	165.7
[M+K]+	266.036008	153.3
[M+H-H2O]+	210.070110	141.4
[M+HCOO]-	272.071051	164.6
[M+CH3COO]-	286.086701	185.0
[M+Na-2H]-	248.047516	151.2
[M]+	227.07230142	146.9
[M]-	227.07339858	146.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.