CID 89766

Acetic acid, 2-[(4,5-dihydro-4-oxo-2-thiazolyl)thio]-

Structural Information

Molecular Formula
C5H5NO3S2
SMILES
C1C(=O)N=C(S1)SCC(=O)O
InChI
InChI=1S/C5H5NO3S2/c7-3-1-10-5(6-3)11-2-4(8)9/h1-2H2,(H,8,9)
InChIKey
IRDFJVKFKOGADM-UHFFFAOYSA-N
Compound name
2-[(4-oxo-1,3-thiazol-2-yl)sulfanyl]acetic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

190.97108 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.978356 136.6
[M+Na]+ 213.960298 145.5
[M-H]- 189.963804 137.9
[M+NH4]+ 209.004903 156.6
[M+K]+ 229.934238 142.5
[M+H-H2O]+ 173.968340 131.6
[M+HCOO]- 235.969281 148.0
[M+CH3COO]- 249.984931 174.3
[M+Na-2H]- 211.945746 135.7
[M]+ 190.97053142 138.7
[M]- 190.97162858 138.7
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

No patent data available for this compound.