CID 15646799

146511-06-0

Structural Information

Molecular Formula

C₆H₁₄N₂O₄S

SMILES

C1CN(CCN1CCO)S(=O)(=O)O

InChI

InChI=1S/C6H14N2O4S/c9-6-5-7-1-3-8(4-2-7)13(10,11)12/h9H,1-6H2,(H,10,11,12)

InChIKey

CVSDWRGWBWLCLS-UHFFFAOYSA-N

Compound name

4-(2-hydroxyethyl)piperazine-1-sulfonic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 150
Patents: 210.06743 Da
Monoisotopic Mass: -4.1
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]+	211.07471	144.0
[M+Na]+	233.05665	150.2
[M-H]-	209.06015	141.7
[M+NH4]+	228.10125	159.0
[M+K]+	249.03059	147.8
[M+H-H2O]+	193.06469	138.0
[M+HCOO]-	255.06563	154.0
[M+CH3COO]-	269.08128	175.7
[M+Na-2H]-	231.04210	146.8
[M]+	210.06688	142.2
[M]-	210.06798	142.2

Literature stripe

literature stripe

Patent stripe

patents stripe