CID 19659

3811-73-2

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
8
Annotation Hits

161
References

9369
Patents

126.00136 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.008636 117.5
[M+Na]+ 148.990578 127.5
[M-H]- 124.994084 119.2
[M+NH4]+ 144.035183 138.5
[M+K]+ 164.964518 125.5
[M+H-H2O]+ 108.998620 114.3
[M+HCOO]- 170.999561 136.7
[M+CH3COO]- 185.015211 165.0
[M+Na-2H]- 146.976026 122.6
[M]+ 126.00081142 117.1
[M]- 126.00190858 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