CID 100756853

N-(4h-1,2,4-triazol-3-yl)pyridin-3-amine

Structural Information

Molecular Formula

C₇H₇N₅

SMILES

C1=CC(=CN=C1)NC2=NC=NN2

InChI

InChI=1S/C7H7N5/c1-2-6(4-8-3-1)11-7-9-5-10-12-7/h1-5H,(H2,9,10,11,12)

InChIKey

ZCVNKNHYNSXSIK-UHFFFAOYSA-N

Compound name

N-(1H-1,2,4-triazol-5-yl)pyridin-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 161.07014 Da
Monoisotopic Mass: 0.8
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]+	162.07742	130.4
[M+Na]+	184.05936	138.8
[M-H]-	160.06286	130.7
[M+NH4]+	179.10396	146.1
[M+K]+	200.03330	135.2
[M+H-H2O]+	144.06740	120.9
[M+HCOO]-	206.06834	152.1
[M+CH3COO]-	220.08399	142.7
[M+Na-2H]-	182.04481	139.8
[M]+	161.06959	127.4
[M]-	161.07069	127.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe