CID 82467920

1895436-40-4

Structural Information

Molecular Formula

C₇H₉N₅

SMILES

C1=CN2C(=NC(=N2)CCN)N=C1

InChI

InChI=1S/C7H9N5/c8-3-2-6-10-7-9-4-1-5-12(7)11-6/h1,4-5H,2-3,8H2

InChIKey

PRHVXFAJDQIONB-UHFFFAOYSA-N

Compound name

2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 163.0858 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]+	164.09308	131.0
[M+Na]+	186.07502	144.1
[M+NH4]+	181.11962	138.6
[M+K]+	202.04896	140.0
[M-H]-	162.07852	131.5
[M+Na-2H]-	184.06047	138.0
[M]+	163.08525	132.8
[M]-	163.08635	132.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.