CID 4723809

62402-16-8

Structural Information

Molecular Formula

C₉H₁₂N₂

SMILES

C=CCNCC1=CC=CC=N1

InChI

InChI=1S/C9H12N2/c1-2-6-10-8-9-5-3-4-7-11-9/h2-5,7,10H,1,6,8H2

InChIKey

QWYUXVMDZOWGNV-UHFFFAOYSA-N

Compound name

N-(pyridin-2-ylmethyl)prop-2-en-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 148.10005 Da
Monoisotopic Mass: 0.9
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]+	149.10733	131.9
[M+Na]+	171.08927	144.5
[M+NH4]+	166.13387	140.6
[M+K]+	187.06321	136.9
[M-H]-	147.09277	134.5
[M+Na-2H]-	169.07472	139.9
[M]+	148.09950	134.3
[M]-	148.10060	134.3

Literature stripe

literature stripe

Patent stripe

patents stripe