CID 12160916

2445792-39-0

Structural Information

Molecular Formula

C₁₃H₁₆N₄

SMILES

C1CNCCC1N2C=C(N=N2)C3=CC=CC=C3

InChI

InChI=1S/C13H16N4/c1-2-4-11(5-3-1)13-10-17(16-15-13)12-6-8-14-9-7-12/h1-5,10,12,14H,6-9H2

InChIKey

WTCMESPAAKAPTI-UHFFFAOYSA-N

Compound name

4-(4-phenyltriazol-1-yl)piperidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 228.1375 Da
Monoisotopic Mass: 1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	229.14478	153.9
[M+Na]+	251.12672	167.1
[M+NH4]+	246.17132	161.6
[M+K]+	267.10066	161.6
[M-H]-	227.13022	157.4
[M+Na-2H]-	249.11217	162.7
[M]+	228.13695	156.6
[M]-	228.13805	156.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe