CID 3034757

2-thioxothiazolidine-4-carboxylic acid

Structural Information

Molecular Formula

C₄H₅NO₂S₂

SMILES

C1C(NC(=S)S1)C(=O)O

InChI

InChI=1S/C4H5NO2S2/c6-3(7)2-1-9-4(8)5-2/h2H,1H2,(H,5,8)(H,6,7)

InChIKey

SQUOCHQOQMZGQP-UHFFFAOYSA-N

Compound name

2-sulfanylidene-1,3-thiazolidine-4-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 94
References: 96
Patents: 162.97617 Da
Monoisotopic Mass: 0.5
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]+	163.98345	132.4
[M+Na]+	185.96539	139.8
[M+NH4]+	181.00999	140.0
[M+K]+	201.93933	134.3
[M-H]-	161.96889	131.4
[M+Na-2H]-	183.95084	133.1
[M]+	162.97562	133.6
[M]-	162.97672	133.6

Literature stripe

literature stripe

Patent stripe

patents stripe