CID 16762501

2-(piperazine-1-sulfonyl)ethan-1-amine dihydrochloride

Structural Information

Molecular Formula

C₆H₁₅N₃O₂S

SMILES

C1CN(CCN1)S(=O)(=O)CCN

InChI

InChI=1S/C6H15N3O2S/c7-1-6-12(10,11)9-4-2-8-3-5-9/h8H,1-7H2

InChIKey

OJIVLWDRYFSBGU-UHFFFAOYSA-N

Compound name

2-piperazin-1-ylsulfonylethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 193.0885 Da
Monoisotopic Mass: -2.1
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]+	194.09578	140.7
[M+Na]+	216.07772	147.9
[M+NH4]+	211.12232	146.8
[M+K]+	232.05166	142.7
[M-H]-	192.08122	139.3
[M+Na-2H]-	214.06317	143.0
[M]+	193.08795	141.3
[M]-	193.08905	141.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe