CID 81832

7365-82-4

Structural Information

Molecular Formula

C₄H₁₀N₂O₄S

SMILES

C(CS(=O)(=O)O)NCC(=O)N

InChI

InChI=1S/C4H10N2O4S/c5-4(7)3-6-1-2-11(8,9)10/h6H,1-3H2,(H2,5,7)(H,8,9,10)

InChIKey

DBXNUXBLKRLWFA-UHFFFAOYSA-N

Compound name

2-[(2-amino-2-oxoethyl)amino]ethanesulfonic acid

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 19
References: 8986
Patents: 182.03613 Da
Monoisotopic Mass: -4.7
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]+	183.043406	134.6
[M+Na]+	205.025348	140.7
[M-H]-	181.028854	132.9
[M+NH4]+	200.069953	152.8
[M+K]+	220.999288	138.9
[M+H-H2O]+	165.033390	129.1
[M+HCOO]-	227.034331	152.0
[M+CH3COO]-	241.049981	178.4
[M+Na-2H]-	203.010796	138.0
[M]+	182.03558142	134.8
[M]-	182.03667858	134.8

Literature stripe

literature stripe

Patent stripe

patents stripe