CID 15089585

4-amino-1,2-dihydropyridine-2-thione

Structural Information

Molecular Formula
C5H6N2S
SMILES
C1=CNC(=S)C=C1N
InChI
InChI=1S/C5H6N2S/c6-4-1-2-7-5(8)3-4/h1-3H,(H3,6,7,8)
InChIKey
OZKUGIVLHQMDCP-UHFFFAOYSA-N
Compound name
4-amino-1H-pyridine-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

126.02517 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.03245 120.3
[M+Na]+ 149.01439 129.7
[M-H]- 125.01789 121.5
[M+NH4]+ 144.05899 140.8
[M+K]+ 164.98833 125.5
[M+H-H2O]+ 109.02243 114.8
[M+HCOO]- 171.02337 138.5
[M+CH3COO]- 185.03902 167.5
[M+Na-2H]- 146.99984 125.2
[M]+ 126.02462 117.4
[M]- 126.02572 117.4
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