CID 178244225

3,5-dihydroxy-6-sulfanyl-1h-pyridin-2-one

Structural Information

Molecular Formula
C5H5NO3S
SMILES
C1=C(C(=O)NC(=C1O)S)O
InChI
InChI=1S/C5H5NO3S/c7-2-1-3(8)5(10)6-4(2)9/h1,7-8H,(H2,6,9,10)
InChIKey
MUUVBTWTOFHBDH-UHFFFAOYSA-N
Compound name
3,5-dihydroxy-6-sulfanyl-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

158.99901 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.006286 126.5
[M+Na]+ 181.988228 137.1
[M-H]- 157.991734 126.1
[M+NH4]+ 177.032833 145.1
[M+K]+ 197.962168 133.1
[M+H-H2O]+ 141.996270 121.7
[M+HCOO]- 203.997211 142.0
[M+CH3COO]- 218.012861 166.9
[M+Na-2H]- 179.973676 129.8
[M]+ 158.99846142 126.7
[M]- 158.99955858 126.7
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.