CID 12787364

2-(3-methyl-1h-1,2,4-triazol-5-yl)pyridine

Structural Information

Molecular Formula

C₈H₈N₄

SMILES

CC1=NC(=NN1)C2=CC=CC=N2

InChI

InChI=1S/C8H8N4/c1-6-10-8(12-11-6)7-4-2-3-5-9-7/h2-5H,1H3,(H,10,11,12)

InChIKey

BJDVHKDTPXZGEZ-UHFFFAOYSA-N

Compound name

2-(5-methyl-1H-1,2,4-triazol-3-yl)pyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 52
Patents: 160.07489 Da
Monoisotopic Mass: 1.0
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]+	161.08217	132.8
[M+Na]+	183.06411	146.8
[M+NH4]+	178.10871	140.3
[M+K]+	199.03805	142.3
[M-H]-	159.06761	134.1
[M+Na-2H]-	181.04956	141.5
[M]+	160.07434	135.0
[M]-	160.07544	135.0

Literature stripe

literature stripe

Patent stripe

patents stripe