CID 19659

Sodium (2-pyridylthio)-n-oxide

Structural Information

Molecular Formula
C5H4NOS
SMILES
C1=CC(=S)N(C=C1)[O-]
InChI
InChI=1S/C5H4NOS/c7-6-4-2-1-3-5(6)8/h1-4H/q-1
InChIKey
WLPOMAGOKQZDIN-UHFFFAOYSA-N
Compound name
1-oxidopyridine-2-thione
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

412
References

47638
Patents

126.00136 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.00864 117.5
[M+Na]+ 148.99058 127.5
[M-H]- 124.99408 119.2
[M+NH4]+ 144.03518 138.5
[M+K]+ 164.96452 125.5
[M+H-H2O]+ 108.99862 114.3
[M+HCOO]- 170.99956 136.7
[M+CH3COO]- 185.01521 165.0
[M+Na-2H]- 146.97603 122.6
[M]+ 126.00081 117.1
[M]- 126.00191 117.1
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

patents stripe