CID 4716572

117122-72-2

Structural Information

Molecular Formula

C₉H₁₄N₂

SMILES

CCCNCC1=CN=CC=C1

InChI

InChI=1S/C9H14N2/c1-2-5-10-7-9-4-3-6-11-8-9/h3-4,6,8,10H,2,5,7H2,1H3

InChIKey

GCBOUAABYXKHIS-UHFFFAOYSA-N

Compound name

N-(pyridin-3-ylmethyl)propan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 72
Patents: 150.11569 Da
Monoisotopic Mass: 1.0
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	132.6
[M+Na]+	173.10491	145.1
[M+NH4]+	168.14951	141.5
[M+K]+	189.07885	137.6
[M-H]-	149.10841	135.4
[M+Na-2H]-	171.09036	140.7
[M]+	150.11514	135.1
[M]-	150.11624	135.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe