CID 60066138

2-[(methylsulfamoyl)amino]acetic acid

Structural Information

Molecular Formula

C₃H₈N₂O₄S

SMILES

CNS(=O)(=O)NCC(=O)O

InChI

InChI=1S/C3H8N2O4S/c1-4-10(8,9)5-2-3(6)7/h4-5H,2H2,1H3,(H,6,7)

InChIKey

JUENWDOXRJJIOO-UHFFFAOYSA-N

Compound name

2-(methylsulfamoylamino)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 168.02048 Da
Monoisotopic Mass: -1.3
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]+	169.02776	130.0
[M+Na]+	191.00970	136.6
[M-H]-	167.01320	129.2
[M+NH4]+	186.05430	149.1
[M+K]+	206.98364	135.4
[M+H-H2O]+	151.01774	124.7
[M+HCOO]-	213.01868	148.4
[M+CH3COO]-	227.03433	175.9
[M+Na-2H]-	188.99515	135.0
[M]+	168.01993	130.9
[M]-	168.02103	130.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe