CID 3041200

53636-43-4

Structural Information

Molecular Formula
C6H5N5S
SMILES
C1=CC(=C(N=C1)C2=NNN=N2)S
InChI
InChI=1S/C6H5N5S/c12-4-2-1-3-7-5(4)6-8-10-11-9-6/h1-3,12H,(H,8,9,10,11)
InChIKey
JVSSOEVFKVEOHS-UHFFFAOYSA-N
Compound name
2-(2H-tetrazol-5-yl)pyridine-3-thiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

179.02657 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.03385 134.1
[M+Na]+ 202.01579 145.9
[M-H]- 178.01929 134.1
[M+NH4]+ 197.06039 149.4
[M+K]+ 217.98973 141.5
[M+H-H2O]+ 162.02383 125.8
[M+HCOO]- 224.02477 149.0
[M+CH3COO]- 238.04042 146.6
[M+Na-2H]- 200.00124 138.6
[M]+ 179.02602 134.6
[M]- 179.02712 134.6
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.