CID 21287077

Methyl 2-sulfamoylacetate

Structural Information

Molecular Formula

SMILES

COC(=O)CS(=O)(=O)N

InChI

InChI=1S/C3H7NO4S/c1-8-3(5)2-9(4,6)7/h2H2,1H3,(H2,4,6,7)

InChIKey

SJPYIEJWHOYGMF-UHFFFAOYSA-N

Compound name

methyl 2-sulfamoylacetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 85
Patents: 153.00958 Da
Monoisotopic Mass: -1.2
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]+	154.016856	126.6
[M+Na]+	175.998798	134.7
[M-H]-	152.002304	127.0
[M+NH4]+	171.043403	147.4
[M+K]+	191.972738	134.3
[M+H-H2O]+	136.006840	121.9
[M+HCOO]-	198.007781	145.1
[M+CH3COO]-	212.023431	172.0
[M+Na-2H]-	173.984246	130.6
[M]+	153.00903142	129.3
[M]-	153.01012858	129.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe