CID 135481135

Sodium 3-hydroxy-5-sulfanyl-1,2-thiazole-4-carboxylate

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

51
Patents

176.95543 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.962706 131.0
[M+Na]+ 199.944648 141.1
[M-H]- 175.948154 130.2
[M+NH4]+ 194.989253 150.3
[M+K]+ 215.918588 136.0
[M+H-H2O]+ 159.952690 126.7
[M+HCOO]- 221.953631 140.9
[M+CH3COO]- 235.969281 168.0
[M+Na-2H]- 197.930096 129.9
[M]+ 176.95488142 130.9
[M]- 176.95597858 130.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe