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]+ 213.116846 148.3
[M+Na]+ 235.098788 156.2
[M-H]- 211.102294 147.0
[M+NH4]+ 230.143393 162.9
[M+K]+ 251.072728 150.7
[M+H-H2O]+ 195.106830 140.4
[M+HCOO]- 257.107771 157.9
[M+CH3COO]- 271.123421 158.2
[M+Na-2H]- 233.084236 147.2
[M]+ 212.10902142 143.1
[M]- 212.11011858 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.