CID 44279537

1207295-05-3

Structural Information

Molecular Formula

C₃H₆N₂O₃S

SMILES

C1C(C(=O)NS1(=O)=O)N

InChI

InChI=1S/C3H6N2O3S/c4-2-1-9(7,8)5-3(2)6/h2H,1,4H2,(H,5,6)

InChIKey

YNGHWOLHQBCKHS-UHFFFAOYSA-N

Compound name

4-amino-1,1-dioxo-1,2-thiazolidin-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 150.00992 Da
Monoisotopic Mass: -2.0
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]+	151.01720	124.1
[M+Na]+	172.99914	133.9
[M-H]-	149.00264	125.3
[M+NH4]+	168.04374	147.0
[M+K]+	188.97308	131.6
[M+H-H2O]+	133.00718	120.1
[M+HCOO]-	195.00812	141.7
[M+CH3COO]-	209.02377	167.7
[M+Na-2H]-	170.98459	126.9
[M]+	150.00937	122.1
[M]-	150.01047	122.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.