CID 62540242

1835647-71-6

Structural Information

Molecular Formula

C₁₁H₁₆N₂O₂S

SMILES

C1CC(NC1)CNS(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C11H16N2O2S/c14-16(15,11-6-2-1-3-7-11)13-9-10-5-4-8-12-10/h1-3,6-7,10,12-13H,4-5,8-9H2

InChIKey

ZSTNPSFKCXNSSX-UHFFFAOYSA-N

Compound name

N-(pyrrolidin-2-ylmethyl)benzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 240.09325 Da
Monoisotopic Mass: 1.0
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]+	241.100526	152.8
[M+Na]+	263.082468	158.6
[M-H]-	239.085974	156.4
[M+NH4]+	258.127073	169.9
[M+K]+	279.056408	154.4
[M+H-H2O]+	223.090510	146.0
[M+HCOO]-	285.091451	168.5
[M+CH3COO]-	299.107101	185.2
[M+Na-2H]-	261.067916	155.8
[M]+	240.09270142	150.0
[M]-	240.09379858	150.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe