CID 43165068

2-hydroxypyridine-4-carbothioamide

Structural Information

Molecular Formula
C6H6N2OS
SMILES
C1=CNC(=O)C=C1C(=S)N
InChI
InChI=1S/C6H6N2OS/c7-6(10)4-1-2-8-5(9)3-4/h1-3H,(H2,7,10)(H,8,9)
InChIKey
HPRBBOIGXICHDH-UHFFFAOYSA-N
Compound name
2-oxo-1H-pyridine-4-carbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

154.02008 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.02736 127.8
[M+Na]+ 177.00930 136.7
[M-H]- 153.01280 128.9
[M+NH4]+ 172.05390 146.9
[M+K]+ 192.98324 132.5
[M+H-H2O]+ 137.01734 122.0
[M+HCOO]- 199.01828 145.1
[M+CH3COO]- 213.03393 172.6
[M+Na-2H]- 174.99475 131.2
[M]+ 154.01953 125.4
[M]- 154.02063 125.4
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.