CID 209167

3-(2-aminoethyl)-1,3-thiazolidine-2,4-dione

Structural Information

Molecular Formula

C₅H₈N₂O₂S

SMILES

C1C(=O)N(C(=O)S1)CCN

InChI

InChI=1S/C5H8N2O2S/c6-1-2-7-4(8)3-10-5(7)9/h1-3,6H2

InChIKey

PSJIYWXYXJTRRY-UHFFFAOYSA-N

Compound name

3-(2-aminoethyl)-1,3-thiazolidine-2,4-dione

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 43
Patents: 160.03065 Da
Monoisotopic Mass: -0.7
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]+	161.037926	131.0
[M+Na]+	183.019868	139.6
[M-H]-	159.023374	133.1
[M+NH4]+	178.064473	152.4
[M+K]+	198.993808	137.6
[M+H-H2O]+	143.027910	125.3
[M+HCOO]-	205.028851	149.2
[M+CH3COO]-	219.044501	175.3
[M+Na-2H]-	181.005316	131.5
[M]+	160.03010142	130.5
[M]-	160.03119858	130.5

Literature stripe

literature stripe

Patent stripe

patents stripe