CID 236648

6336-68-1

Structural Information

Molecular Formula

C₁₁H₁₆N₂O₂S

SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)N

InChI

InChI=1S/C11H16N2O2S/c12-10-4-6-11(7-5-10)16(14,15)13-8-2-1-3-9-13/h4-7H,1-3,8-9,12H2

InChIKey

ZTTBIWZAAMPNBE-UHFFFAOYSA-N

Compound name

4-piperidin-1-ylsulfonylaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 266
Patents: 240.09325 Da
Monoisotopic Mass: 1.2
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	151.9
[M+Na]+	263.082468	157.9
[M-H]-	239.085974	156.2
[M+NH4]+	258.127073	167.7
[M+K]+	279.056408	154.0
[M+H-H2O]+	223.090510	144.6
[M+HCOO]-	285.091451	166.2
[M+CH3COO]-	299.107101	188.7
[M+Na-2H]-	261.067916	155.2
[M]+	240.09270142	148.1
[M]-	240.09379858	148.1

Literature stripe

literature stripe

Patent stripe

patents stripe