CID 46318374

3-(3-phenyl-1h-1,2,4-triazol-5-yl)piperidine dihydrochloride

Structural Information

Molecular Formula
C13H16N4
SMILES
C1CC(CNC1)C2=NC(=NN2)C3=CC=CC=C3
InChI
InChI=1S/C13H16N4/c1-2-5-10(6-3-1)12-15-13(17-16-12)11-7-4-8-14-9-11/h1-3,5-6,11,14H,4,7-9H2,(H,15,16,17)
InChIKey
YZRMJEUPVCOVSO-UHFFFAOYSA-N
Compound name
3-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

228.1375 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.14478 153.1
[M+Na]+ 251.12672 158.5
[M-H]- 227.13022 154.0
[M+NH4]+ 246.17132 165.2
[M+K]+ 267.10066 152.3
[M+H-H2O]+ 211.13476 142.4
[M+HCOO]- 273.13570 167.2
[M+CH3COO]- 287.15135 162.2
[M+Na-2H]- 249.11217 156.5
[M]+ 228.13695 144.5
[M]- 228.13805 144.5
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.