CID 10898842

2-(1h-1,2,4-triazol-3-yl)pyridine

Structural Information

Molecular Formula

C₇H₆N₄

SMILES

C1=CC=NC(=C1)C2=NC=NN2

InChI

InChI=1S/C7H6N4/c1-2-4-8-6(3-1)7-9-5-10-11-7/h1-5H,(H,9,10,11)

InChIKey

PVMLJDLTWMGZAH-UHFFFAOYSA-N

Compound name

2-(1H-1,2,4-triazol-5-yl)pyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 341
Patents: 146.05925 Da
Monoisotopic Mass: 0.6
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]+	147.066526	127.5
[M+Na]+	169.048468	136.8
[M-H]-	145.051974	127.8
[M+NH4]+	164.093073	144.2
[M+K]+	185.022408	133.3
[M+H-H2O]+	129.056510	118.4
[M+HCOO]-	191.057451	148.1
[M+CH3COO]-	205.073101	140.4
[M+Na-2H]-	167.033916	136.2
[M]+	146.05870142	125.1
[M]-	146.05979858	125.1

Literature stripe

literature stripe

Patent stripe

patents stripe