CID 5463181

3-aminopyridine-2(1h)-thione

Structural Information

Molecular Formula
C5H6N2S
SMILES
C1=CNC(=S)C(=C1)N
InChI
InChI=1S/C5H6N2S/c6-4-2-1-3-7-5(4)8/h1-3H,6H2,(H,7,8)
InChIKey
ADMMJKIQWOJMSK-UHFFFAOYSA-N
Compound name
3-amino-1H-pyridine-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

134
Patents

126.02517 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.03245 121.1
[M+Na]+ 149.01439 133.3
[M+NH4]+ 144.05899 130.2
[M+K]+ 164.98833 125.5
[M-H]- 125.01789 123.4
[M+Na-2H]- 146.99984 127.8
[M]+ 126.02462 123.8
[M]- 126.02572 123.8
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