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

1
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 122.3
[M+Na]+ 150.00964 132.6
[M-H]- 126.01314 121.2
[M+NH4]+ 145.05424 142.3
[M+K]+ 165.98358 129.7
[M+H-H2O]+ 110.01768 115.7
[M+HCOO]- 172.01862 139.0
[M+CH3COO]- 186.03427 165.1
[M+Na-2H]- 147.99509 126.2
[M]+ 127.01987 122.4
[M]- 127.02097 122.4
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.