CID 135481135

475112-25-5

Structural Information

Molecular Formula

C₄H₃NO₃S₂

SMILES

C1(=C(NSC1=S)O)C(=O)O

InChI

InChI=1S/C4H3NO3S2/c6-2-1(3(7)8)4(9)10-5-2/h5-6H,(H,7,8)

InChIKey

ZMZKHSNDVXMBKH-UHFFFAOYSA-N

Compound name

3-hydroxy-5-sulfanylidene-2H-1,2-thiazole-4-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 42
Patents: 176.95543 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]+	177.96271	134.4
[M+Na]+	199.94465	142.9
[M+NH4]+	194.98925	141.1
[M+K]+	215.91859	137.9
[M-H]-	175.94815	132.8
[M+Na-2H]-	197.93010	135.4
[M]+	176.95488	135.6
[M]-	176.95598	135.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe