CID 3546562

4-ethyl-2,4-dihydro-3h-1,2,4-triazole-3-thione

Structural Information

Molecular Formula
C4H7N3S
SMILES
CCN1C=NNC1=S
InChI
InChI=1S/C4H7N3S/c1-2-7-3-5-6-4(7)8/h3H,2H2,1H3,(H,6,8)
InChIKey
VYCYFQLHLFRVKW-UHFFFAOYSA-N
Compound name
4-ethyl-1H-1,2,4-triazole-5-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

68
Patents

129.03607 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.04335 122.7
[M+Na]+ 152.02529 133.8
[M-H]- 128.02879 122.0
[M+NH4]+ 147.06989 143.0
[M+K]+ 167.99923 130.9
[M+H-H2O]+ 112.03333 116.5
[M+HCOO]- 174.03427 139.3
[M+CH3COO]- 188.04992 166.2
[M+Na-2H]- 150.01074 125.9
[M]+ 129.03552 123.2
[M]- 129.03662 123.2
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

patents stripe