CID 4778222

1174143-24-8

Structural Information

Molecular Formula

C₁₁H₁₆N₂O₂S

SMILES

C1CN(CCC1N)S(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C11H16N2O2S/c12-10-6-8-13(9-7-10)16(14,15)11-4-2-1-3-5-11/h1-5,10H,6-9,12H2

InChIKey

JKYZVBQALRYBKE-UHFFFAOYSA-N

Compound name

1-(benzenesulfonyl)piperidin-4-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 46
Patents: 240.09325 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]+	241.10053	151.9
[M+Na]+	263.08247	157.9
[M-H]-	239.08597	156.2
[M+NH4]+	258.12707	167.7
[M+K]+	279.05641	154.0
[M+H-H2O]+	223.09051	144.6
[M+HCOO]-	285.09145	166.2
[M+CH3COO]-	299.10710	188.7
[M+Na-2H]-	261.06792	155.2
[M]+	240.09270	148.1
[M]-	240.09380	148.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe