CID 46318373

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

Structural Information

Molecular Formula
C13H16N4
SMILES
C1CNCCC1C2=NC(=NN2)C3=CC=CC=C3
InChI
InChI=1S/C13H16N4/c1-2-4-10(5-3-1)12-15-13(17-16-12)11-6-8-14-9-7-11/h1-5,11,14H,6-9H2,(H,15,16,17)
InChIKey
RRCZVRXKLGLIQD-UHFFFAOYSA-N
Compound name
4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

48
Patents

228.1375 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.144776 153.1
[M+Na]+ 251.126718 158.5
[M-H]- 227.130224 154.0
[M+NH4]+ 246.171323 165.2
[M+K]+ 267.100658 152.3
[M+H-H2O]+ 211.134760 142.4
[M+HCOO]- 273.135701 167.2
[M+CH3COO]- 287.151351 162.2
[M+Na-2H]- 249.112166 156.5
[M]+ 228.13695142 144.5
[M]- 228.13804858 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

patents stripe