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

37342
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

literature stripe

Patent stripe

patents stripe