CID 118726

34730-59-1

Structural Information

Molecular Formula

C₄H₁₂N₂O₃S

SMILES

C(CNCCS(=O)(=O)O)N

InChI

InChI=1S/C4H12N2O3S/c5-1-2-6-3-4-10(7,8)9/h6H,1-5H2,(H,7,8,9)

InChIKey

IVGRSQBDVIJNDA-UHFFFAOYSA-N

Compound name

2-(2-aminoethylamino)ethanesulfonic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 3478
Patents: 168.05687 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]+	169.06415	134.1
[M+Na]+	191.04609	140.1
[M+NH4]+	186.09069	139.8
[M+K]+	207.02003	135.6
[M-H]-	167.04959	131.8
[M+Na-2H]-	189.03154	135.2
[M]+	168.05632	134.1
[M]-	168.05742	134.1

Literature stripe

literature stripe

Patent stripe

patents stripe