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: 233
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]+	241.10053	151.4
[M+Na]+	263.08247	161.9
[M+NH4]+	258.12707	159.2
[M+K]+	279.05641	154.7
[M-H]-	239.08597	154.3
[M+Na-2H]-	261.06792	157.9
[M]+	240.09270	154.0
[M]-	240.09380	154.0

Literature stripe

literature stripe

Patent stripe

patents stripe