CID 145433286

Methyl 2-(2-aminoethanesulfonamido)acetate hydrochloride

Structural Information

Molecular Formula

C₅H₁₂N₂O₄S

SMILES

COC(=O)CNS(=O)(=O)CCN

InChI

InChI=1S/C5H12N2O4S/c1-11-5(8)4-7-12(9,10)3-2-6/h7H,2-4,6H2,1H3

InChIKey

LLRJCTIUBXUSBV-UHFFFAOYSA-N

Compound name

methyl 2-(2-aminoethylsulfonylamino)acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 196.05177 Da
Monoisotopic Mass: -1.7
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]+	197.05905	139.0
[M+Na]+	219.04099	145.2
[M-H]-	195.04449	138.7
[M+NH4]+	214.08559	157.5
[M+K]+	235.01493	144.1
[M+H-H2O]+	179.04903	133.2
[M+HCOO]-	241.04997	157.6
[M+CH3COO]-	255.06562	183.1
[M+Na-2H]-	217.02644	142.4
[M]+	196.05122	141.4
[M]-	196.05232	141.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe