CID 2723698

2-mercaptopyridine

Structural Information

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

2D Structure

compound 2d structure
4
Annotation Hits

139
References

38144
Patents

111.01427 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 112.02155 115.8
[M+Na]+ 134.00349 125.3
[M-H]- 110.00699 117.4
[M+NH4]+ 129.04809 137.3
[M+K]+ 149.97743 121.8
[M+H-H2O]+ 94.011530 110.6
[M+HCOO]- 156.01247 133.9
[M+CH3COO]- 170.02812 162.4
[M+Na-2H]- 131.98894 122.2
[M]+ 111.01372 114.4
[M]- 111.01482 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.