CID 73243

10191-18-1

Structural Information

Molecular Formula

C₆H₁₅NO₅S

SMILES

C(CO)N(CCO)CCS(=O)(=O)O

InChI

InChI=1S/C6H15NO5S/c8-4-1-7(2-5-9)3-6-13(10,11)12/h8-9H,1-6H2,(H,10,11,12)

InChIKey

AJTVSSFTXWNIRG-UHFFFAOYSA-N

Compound name

2-[bis(2-hydroxyethyl)amino]ethanesulfonic acid

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 148
References: 7344
Patents: 213.0671 Da
Monoisotopic Mass: -4.5
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]+	214.07438	145.4
[M+Na]+	236.05632	150.8
[M+NH4]+	231.10092	149.9
[M+K]+	252.03026	147.4
[M-H]-	212.05982	141.2
[M+Na-2H]-	234.04177	145.0
[M]+	213.06655	144.8
[M]-	213.06765	144.8

Literature stripe

literature stripe

Patent stripe

patents stripe