CID 676422

[1,2,4]triazolo[4,3-a]pyridine-3-thiol

Structural Information

Molecular Formula
C6H5N3S
SMILES
C1=CC2=NNC(=S)N2C=C1
InChI
InChI=1S/C6H5N3S/c10-6-8-7-5-3-1-2-4-9(5)6/h1-4H,(H,8,10)
InChIKey
ZQMDNIPQCWNIMG-UHFFFAOYSA-N
Compound name
2H-[1,2,4]triazolo[4,3-a]pyridine-3-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

187
Patents

151.02042 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.02770 125.0
[M+Na]+ 174.00964 138.1
[M-H]- 150.01314 125.7
[M+NH4]+ 169.05424 145.7
[M+K]+ 189.98358 133.5
[M+H-H2O]+ 134.01768 119.0
[M+HCOO]- 196.01862 142.6
[M+CH3COO]- 210.03427 139.4
[M+Na-2H]- 171.99509 131.6
[M]+ 151.01987 126.8
[M]- 151.02097 126.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe