CID 75358123

2-{5h,6h,7h,8h-[1,2,4]triazolo[4,3-a]pyridin-3-yl}ethan-1-amine dihydrochloride

Structural Information

Molecular Formula

C₈H₁₄N₄

SMILES

C1CCN2C(=NN=C2CCN)C1

InChI

InChI=1S/C8H14N4/c9-5-4-8-11-10-7-3-1-2-6-12(7)8/h1-6,9H2

InChIKey

AAVVZAZZXUMURZ-UHFFFAOYSA-N

Compound name

2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 166.12184 Da
Monoisotopic Mass: -0.5
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]+	167.129116	136.1
[M+Na]+	189.111058	143.4
[M-H]-	165.114564	135.6
[M+NH4]+	184.155663	154.9
[M+K]+	205.084998	140.8
[M+H-H2O]+	149.119100	127.8
[M+HCOO]-	211.120041	155.2
[M+CH3COO]-	225.135691	148.0
[M+Na-2H]-	187.096506	142.0
[M]+	166.12129142	132.6
[M]-	166.12238858	132.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.