CID 54457536

3-(pyridin-3-yl)prop-2-en-1-amine dihydrochloride

Structural Information

Molecular Formula

C₈H₁₀N₂

SMILES

C1=CC(=CN=C1)C=CCN

InChI

InChI=1S/C8H10N2/c9-5-1-3-8-4-2-6-10-7-8/h1-4,6-7H,5,9H2

InChIKey

WZGWOIOGOJYLSM-UHFFFAOYSA-N

Compound name

3-pyridin-3-ylprop-2-en-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 134.0844 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]+	135.09168	127.6
[M+Na]+	157.07362	140.1
[M+NH4]+	152.11822	136.3
[M+K]+	173.04756	132.9
[M-H]-	133.07712	130.0
[M+Na-2H]-	155.05907	135.3
[M]+	134.08385	129.9
[M]-	134.08495	129.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe