CID 28783155

1228070-80-1

Structural Information

Molecular Formula

C₉H₁₉N₃O₃S

SMILES

C1CN(CCC1N)S(=O)(=O)N2CCOCC2

InChI

InChI=1S/C9H19N3O3S/c10-9-1-3-11(4-2-9)16(13,14)12-5-7-15-8-6-12/h9H,1-8,10H2

InChIKey

XYSKGGIRUYMGEO-UHFFFAOYSA-N

Compound name

1-morpholin-4-ylsulfonylpiperidin-4-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 249.11472 Da
Monoisotopic Mass: -1.3
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]+	250.121996	154.8
[M+Na]+	272.103938	158.4
[M-H]-	248.107444	157.4
[M+NH4]+	267.148543	167.2
[M+K]+	288.077878	157.1
[M+H-H2O]+	232.111980	146.9
[M+HCOO]-	294.112921	163.5
[M+CH3COO]-	308.128571	189.0
[M+Na-2H]-	270.089386	157.1
[M]+	249.11417142	148.5
[M]-	249.11526858	148.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe