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]+ 157.01920 125.3
[M+Na]+ 179.00114 135.6
[M-H]- 155.00464 127.1
[M+NH4]+ 174.04574 145.3
[M+K]+ 194.97508 133.7
[M+H-H2O]+ 139.00918 121.8
[M+HCOO]- 201.01012 144.3
[M+CH3COO]- 215.02577 171.1
[M+Na-2H]- 176.98659 129.3
[M]+ 156.01137 127.1
[M]- 156.01247 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.