CID 45791142

N-methyl-1-(2-pyridinyl)-1-propanamine

Structural Information

Molecular Formula

C₉H₁₄N₂

SMILES

CCC(C1=CC=CC=N1)NC

InChI

InChI=1S/C9H14N2/c1-3-8(10-2)9-6-4-5-7-11-9/h4-8,10H,3H2,1-2H3

InChIKey

PZDVEUZUKAGTFJ-UHFFFAOYSA-N

Compound name

N-methyl-1-pyridin-2-ylpropan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 150.11569 Da
Monoisotopic Mass: 1.2
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]+	151.122966	132.8
[M+Na]+	173.104908	139.2
[M-H]-	149.108414	134.9
[M+NH4]+	168.149513	152.4
[M+K]+	189.078848	137.6
[M+H-H2O]+	133.112950	126.0
[M+HCOO]-	195.113891	156.2
[M+CH3COO]-	209.129541	179.6
[M+Na-2H]-	171.090356	140.3
[M]+	150.11514142	131.9
[M]-	150.11623858	131.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe