CID 94250

3,4-dihydrometanicotine

Structural Information

Molecular Formula

C₁₀H₁₆N₂

SMILES

CCCC(C1=CN=CC=C1)NC

InChI

InChI=1S/C10H16N2/c1-3-5-10(11-2)9-6-4-7-12-8-9/h4,6-8,10-11H,3,5H2,1-2H3

InChIKey

NFZVCHHDNNTURD-UHFFFAOYSA-N

Compound name

N-methyl-1-pyridin-3-ylbutan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 42
Patents: 164.13135 Da
Monoisotopic Mass: 1.5
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]+	165.138626	137.5
[M+Na]+	187.120568	143.3
[M-H]-	163.124074	139.3
[M+NH4]+	182.165173	156.5
[M+K]+	203.094508	141.5
[M+H-H2O]+	147.128610	130.4
[M+HCOO]-	209.129551	160.5
[M+CH3COO]-	223.145201	182.7
[M+Na-2H]-	185.106016	144.3
[M]+	164.13080142	136.9
[M]-	164.13189858	136.9

Literature stripe

literature stripe

Patent stripe

patents stripe