CID 2805047

Cds1_000528

Structural Information

Molecular Formula

C₉H₁₃N₃

SMILES

CC(=NCCC1=CC=NC=C1)N

InChI

InChI=1S/C9H13N3/c1-8(10)12-7-4-9-2-5-11-6-3-9/h2-3,5-6H,4,7H2,1H3,(H2,10,12)

InChIKey

VLTVFVAFIUGDQI-UHFFFAOYSA-N

Compound name

N'-(2-pyridin-4-ylethyl)ethanimidamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 0
Patents: 163.11095 Da
Monoisotopic Mass: 0.1
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]+	164.118226	135.7
[M+Na]+	186.100168	141.9
[M-H]-	162.103674	138.6
[M+NH4]+	181.144773	154.8
[M+K]+	202.074108	140.2
[M+H-H2O]+	146.108210	128.2
[M+HCOO]-	208.109151	161.1
[M+CH3COO]-	222.124801	184.9
[M+Na-2H]-	184.085616	142.9
[M]+	163.11040142	134.1
[M]-	163.11149858	134.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.