CID 27691

3-mercaptopyridine

Structural Information

Molecular Formula
C5H5NS
SMILES
C1=CC(=CN=C1)S
InChI
InChI=1S/C5H5NS/c7-5-2-1-3-6-4-5/h1-4,7H
InChIKey
FFWJHVGUAKWTKW-UHFFFAOYSA-N
Compound name
pyridine-3-thiol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

10
References

2205
Patents

111.01427 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 112.02155 115.6
[M+Na]+ 134.00349 125.3
[M-H]- 110.00699 118.7
[M+NH4]+ 129.04809 137.9
[M+K]+ 149.97743 123.4
[M+H-H2O]+ 94.011530 110.1
[M+HCOO]- 156.01247 135.0
[M+CH3COO]- 170.02812 165.9
[M+Na-2H]- 131.98894 122.5
[M]+ 111.01372 116.8
[M]- 111.01482 116.8
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.