CID 93924

58061-48-6

Structural Information

Molecular Formula

C₁₀H₁₆N₂

SMILES

CCCCNCC1=CC=CC=N1

InChI

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

InChIKey

YIHVRGYQUTZXNL-UHFFFAOYSA-N

Compound name

N-(pyridin-2-ylmethyl)butan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 36
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	136.7
[M+Na]+	187.120568	142.9
[M-H]-	163.124074	138.5
[M+NH4]+	182.165173	155.8
[M+K]+	203.094508	140.6
[M+H-H2O]+	147.128610	129.6
[M+HCOO]-	209.129551	160.7
[M+CH3COO]-	223.145201	181.9
[M+Na-2H]-	185.106016	144.9
[M]+	164.13080142	136.8
[M]-	164.13189858	136.8

Literature stripe

literature stripe

Patent stripe

patents stripe