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

6
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

patents stripe