CID 19019816

959239-30-6

Structural Information

Molecular Formula

C₉H₁₄N₂

SMILES

CCC(C1=CN=CC=C1)NC

InChI

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

InChIKey

JTPWXPRSUHUPPR-UHFFFAOYSA-N

Compound name

N-methyl-1-pyridin-3-ylpropan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 150.11569 Da
Monoisotopic Mass: 1.1
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]+	151.12297	132.8
[M+Na]+	173.10491	139.2
[M-H]-	149.10841	134.9
[M+NH4]+	168.14951	152.4
[M+K]+	189.07885	137.6
[M+H-H2O]+	133.11295	126.0
[M+HCOO]-	195.11389	156.2
[M+CH3COO]-	209.12954	179.6
[M+Na-2H]-	171.09036	140.3
[M]+	150.11514	131.9
[M]-	150.11624	131.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe