CID 3069742

3-(ethenylthio)-5-methyl-1h-1,2,4-triazole

Structural Information

Molecular Formula
C5H7N3S
SMILES
CC1=NC(=NN1)SC=C
InChI
InChI=1S/C5H7N3S/c1-3-9-5-6-4(2)7-8-5/h3H,1H2,2H3,(H,6,7,8)
InChIKey
QEULFNTXLZTRMT-UHFFFAOYSA-N
Compound name
3-ethenylsulfanyl-5-methyl-1H-1,2,4-triazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

141.03607 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.043346 126.7
[M+Na]+ 164.025288 137.4
[M-H]- 140.028794 125.8
[M+NH4]+ 159.069893 146.4
[M+K]+ 179.999228 134.1
[M+H-H2O]+ 124.033330 120.2
[M+HCOO]- 186.034271 142.9
[M+CH3COO]- 200.049921 169.1
[M+Na-2H]- 162.010736 129.3
[M]+ 141.03552142 127.5
[M]- 141.03661858 127.5
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.