CID 7783984

7271-45-6

Structural Information

Molecular Formula
C4H7N3S
SMILES
CCC1=NC(=S)NN1
InChI
InChI=1S/C4H7N3S/c1-2-3-5-4(8)7-6-3/h2H2,1H3,(H2,5,6,7,8)
InChIKey
QKCNMYZGZIKYHA-UHFFFAOYSA-N
Compound name
5-ethyl-1,2-dihydro-1,2,4-triazole-3-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

51
Patents

129.03607 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.04335 125.3
[M+Na]+ 152.02529 136.3
[M+NH4]+ 147.06989 132.8
[M+K]+ 167.99923 130.9
[M-H]- 128.02879 124.4
[M+Na-2H]- 150.01074 129.2
[M]+ 129.03552 126.8
[M]- 129.03662 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