CID 16785127

950769-01-4

Structural Information

Molecular Formula

C₈H₉N₅

SMILES

C1=CC(=C(N=C1)N2C=NC=N2)CN

InChI

InChI=1S/C8H9N5/c9-4-7-2-1-3-11-8(7)13-6-10-5-12-13/h1-3,5-6H,4,9H2

InChIKey

ZOTWLOCOCZAXCJ-UHFFFAOYSA-N

Compound name

[2-(1,2,4-triazol-1-yl)pyridin-3-yl]methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 175.0858 Da
Monoisotopic Mass: -0.2
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]+	176.09308	135.5
[M+Na]+	198.07502	148.4
[M+NH4]+	193.11962	142.7
[M+K]+	214.04896	144.4
[M-H]-	174.07852	137.4
[M+Na-2H]-	196.06047	144.1
[M]+	175.08525	137.6
[M]-	175.08635	137.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe