CID 3075784

Sodium 4-methoxypyridinethione

Structural Information

Molecular Formula
C6H6NO2S
SMILES
COC1=CC(=S)N(C=C1)[O-]
InChI
InChI=1S/C6H6NO2S/c1-9-5-2-3-7(8)6(10)4-5/h2-4H,1H3/q-1
InChIKey
DFJVVKJAJYMDHV-UHFFFAOYSA-N
Compound name
4-methoxy-1-oxidopyridine-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

156.01192 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.019196 125.3
[M+Na]+ 179.001138 135.6
[M-H]- 155.004644 127.1
[M+NH4]+ 174.045743 145.3
[M+K]+ 194.975078 133.7
[M+H-H2O]+ 139.009180 121.8
[M+HCOO]- 201.010121 144.3
[M+CH3COO]- 215.025771 171.1
[M+Na-2H]- 176.986586 129.3
[M]+ 156.01137142 127.1
[M]- 156.01246858 127.1
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.