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

49
Patents

176.95543 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.96271 131.0
[M+Na]+ 199.94465 141.1
[M-H]- 175.94815 130.2
[M+NH4]+ 194.98925 150.3
[M+K]+ 215.91859 136.0
[M+H-H2O]+ 159.95269 126.7
[M+HCOO]- 221.95363 140.9
[M+CH3COO]- 235.96928 168.0
[M+Na-2H]- 197.93010 129.9
[M]+ 176.95488 130.9
[M]- 176.95598 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