CID 23831

Hepes

Structural Information

Molecular Formula

C₈H₁₈N₂O₄S

SMILES

C1CN(CCN1CCO)CCS(=O)(=O)O

InChI

InChI=1S/C8H18N2O4S/c11-7-5-9-1-3-10(4-2-9)6-8-15(12,13)14/h11H,1-8H2,(H,12,13,14)

InChIKey

JKMHFZQWWAIEOD-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 14026
References: 2937
Patents: 238.09872 Da
Monoisotopic Mass: -4.0
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]+	239.10600	152.8
[M+Na]+	261.08794	160.0
[M+NH4]+	256.13254	157.7
[M+K]+	277.06188	155.2
[M-H]-	237.09144	149.8
[M+Na-2H]-	259.07339	153.6
[M]+	238.09817	152.9
[M]-	238.09927	152.9

Literature stripe

literature stripe

Patent stripe

patents stripe