CID 28741007

4-ethyl-5-(piperidin-4-yl)-4h-1,2,4-triazole-3-thiol hydrochloride

Structural Information

Molecular Formula
C9H16N4S
SMILES
CCN1C(=NNC1=S)C2CCNCC2
InChI
InChI=1S/C9H16N4S/c1-2-13-8(11-12-9(13)14)7-3-5-10-6-4-7/h7,10H,2-6H2,1H3,(H,12,14)
InChIKey
KWMGWFOLDARAPH-UHFFFAOYSA-N
Compound name
4-ethyl-3-piperidin-4-yl-1H-1,2,4-triazole-5-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.10957 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.11685 148.3
[M+Na]+ 235.09879 156.2
[M-H]- 211.10229 147.0
[M+NH4]+ 230.14339 162.9
[M+K]+ 251.07273 150.7
[M+H-H2O]+ 195.10683 140.4
[M+HCOO]- 257.10777 157.9
[M+CH3COO]- 271.12342 158.2
[M+Na-2H]- 233.08424 147.2
[M]+ 212.10902 143.1
[M]- 212.11012 143.1
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.