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
2
Annotation Hits

93
References

5341
Patents

111.01427 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 112.02155 117.6
[M+Na]+ 134.00349 131.1
[M+NH4]+ 129.04809 127.4
[M+K]+ 149.97743 122.3
[M-H]- 110.00699 119.8
[M+Na-2H]- 131.98894 125.2
[M]+ 111.01372 120.6
[M]- 111.01482 120.6
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