CID 2723889

4-mercaptopyridine

Structural Information

Molecular Formula
C5H5NS
SMILES
C1=CNC=CC1=S
InChI
InChI=1S/C5H5NS/c7-5-1-3-6-4-2-5/h1-4H,(H,6,7)
InChIKey
FHTDDANQIMVWKZ-UHFFFAOYSA-N
Compound name
1H-pyridine-4-thione
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

93
References

6322
Patents

111.01427 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 112.021546 115.8
[M+Na]+ 134.003488 125.3
[M-H]- 110.006994 117.4
[M+NH4]+ 129.048093 137.3
[M+K]+ 149.977428 121.8
[M+H-H2O]+ 94.011530 110.6
[M+HCOO]- 156.012471 133.9
[M+CH3COO]- 170.028121 162.4
[M+Na-2H]- 131.988936 122.2
[M]+ 111.01372142 114.4
[M]- 111.01481858 114.4
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