CID 2723947

23003-22-7

Structural Information

Molecular Formula
C5H5NOS
SMILES
C1=CNC(=S)C(=C1)O
InChI
InChI=1S/C5H5NOS/c7-4-2-1-3-6-5(4)8/h1-3,7H,(H,6,8)
InChIKey
MARYDOMJDFATPK-UHFFFAOYSA-N
Compound name
3-hydroxy-1H-pyridine-2-thione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

13
References

2283
Patents

127.009186 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.016462 119.8
[M+Na]+ 149.998404 129.6
[M-H]- 126.001910 120.2
[M+NH4]+ 145.043009 140.1
[M+K]+ 165.972344 125.5
[M+H-H2O]+ 110.006446 114.8
[M+HCOO]- 172.007387 136.5
[M+CH3COO]- 186.023037 162.8
[M+Na-2H]- 147.983852 124.9
[M]+ 127.00863742 118.3
[M]- 127.00973458 118.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe