CID 46318373

1235440-58-0

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: 40
Patents: 228.1375 Da
Monoisotopic Mass: 1.8
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	154.3
[M+Na]+	251.12672	166.9
[M+NH4]+	246.17132	161.7
[M+K]+	267.10066	161.8
[M-H]-	227.13022	157.3
[M+Na-2H]-	249.11217	162.5
[M]+	228.13695	156.7
[M]-	228.13805	156.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe