CID 14662471

3-aminopyridine-4-thiol

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

132
Patents

126.02517 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.032446 120.3
[M+Na]+ 149.014388 129.7
[M-H]- 125.017894 121.5
[M+NH4]+ 144.058993 140.8
[M+K]+ 164.988328 125.5
[M+H-H2O]+ 109.022430 114.8
[M+HCOO]- 171.023371 138.5
[M+CH3COO]- 185.039021 167.5
[M+Na-2H]- 146.999836 125.2
[M]+ 126.02462142 117.4
[M]- 126.02571858 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