CID 3016695

55496-57-6

Structural Information

Molecular Formula

C₁₀H₁₆N₂

SMILES

CCCNCCC1=CC=CC=N1

InChI

InChI=1S/C10H16N2/c1-2-7-11-9-6-10-5-3-4-8-12-10/h3-5,8,11H,2,6-7,9H2,1H3

InChIKey

XPVKRNJOBDEBIH-UHFFFAOYSA-N

Compound name

N-(2-pyridin-2-ylethyl)propan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 25
Patents: 164.13135 Da
Monoisotopic Mass: 1.3
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]+	165.13863	136.7
[M+Na]+	187.12057	142.9
[M-H]-	163.12407	138.5
[M+NH4]+	182.16517	155.8
[M+K]+	203.09451	140.6
[M+H-H2O]+	147.12861	129.6
[M+HCOO]-	209.12955	160.7
[M+CH3COO]-	223.14520	181.9
[M+Na-2H]-	185.10602	144.9
[M]+	164.13080	136.8
[M]-	164.13190	136.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe