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]+ 142.04335 126.7
[M+Na]+ 164.02529 137.4
[M-H]- 140.02879 125.8
[M+NH4]+ 159.06989 146.4
[M+K]+ 179.99923 134.1
[M+H-H2O]+ 124.03333 120.2
[M+HCOO]- 186.03427 142.9
[M+CH3COO]- 200.04992 169.1
[M+Na-2H]- 162.01074 129.3
[M]+ 141.03552 127.5
[M]- 141.03662 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.