CID 9965191

161308-36-7

Structural Information

Molecular Formula

C₁₀H₂₂N₂O₄S

SMILES

C1CN(CCN1CCCCS(=O)(=O)O)CCO

InChI

InChI=1S/C10H22N2O4S/c13-9-8-12-6-4-11(5-7-12)3-1-2-10-17(14,15)16/h13H,1-10H2,(H,14,15,16)

InChIKey

LOJNFONOHINEFI-UHFFFAOYSA-N

Compound name

4-[4-(2-hydroxyethyl)piperazin-1-yl]butane-1-sulfonic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 3735
Patents: 266.13004 Da
Monoisotopic Mass: -3.3
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]+	267.13732	160.9
[M+Na]+	289.11926	165.3
[M-H]-	265.12276	157.8
[M+NH4]+	284.16386	173.6
[M+K]+	305.09320	162.0
[M+H-H2O]+	249.12730	154.1
[M+HCOO]-	311.12824	169.6
[M+CH3COO]-	325.14389	187.7
[M+Na-2H]-	287.10471	161.9
[M]+	266.12949	160.5
[M]-	266.13059	160.5

Literature stripe

literature stripe

Patent stripe

patents stripe