CID 53192491

4-(5-ethyl-1h-1,2,4-triazol-3-yl)piperidine hydrochloride

Structural Information

Molecular Formula
C9H16N4
SMILES
CCC1=NC(=NN1)C2CCNCC2
InChI
InChI=1S/C9H16N4/c1-2-8-11-9(13-12-8)7-3-5-10-6-4-7/h7,10H,2-6H2,1H3,(H,11,12,13)
InChIKey
UQXGXVADESAMLD-UHFFFAOYSA-N
Compound name
4-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

5
Patents

180.1375 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.14478 143.4
[M+Na]+ 203.12672 149.2
[M-H]- 179.13022 141.2
[M+NH4]+ 198.17132 158.0
[M+K]+ 219.10066 145.1
[M+H-H2O]+ 163.13476 134.1
[M+HCOO]- 225.13570 157.5
[M+CH3COO]- 239.15135 153.2
[M+Na-2H]- 201.11217 146.4
[M]+ 180.13695 136.0
[M]- 180.13805 136.0
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

No patent data available for this compound.