CID 3048305

3-vinylthio-1,2,4-triazole

Structural Information

Molecular Formula
C4H5N3S
SMILES
C=CSC1=NC=NN1
InChI
InChI=1S/C4H5N3S/c1-2-8-4-5-3-6-7-4/h2-3H,1H2,(H,5,6,7)
InChIKey
ADHCWFALKRUVAQ-UHFFFAOYSA-N
Compound name
5-ethenylsulfanyl-1H-1,2,4-triazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

127.02042 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.02770 124.5
[M+Na]+ 150.00964 135.7
[M+NH4]+ 145.05424 132.4
[M+K]+ 165.98358 129.8
[M-H]- 126.01314 124.0
[M+Na-2H]- 147.99509 129.3
[M]+ 127.01987 126.2
[M]- 127.02097 126.2
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

No patent data available for this compound.