CID 72927

3-pyridinebutanamine

Structural Information

Molecular Formula

C₉H₁₄N₂

SMILES

C1=CC(=CN=C1)CCCCN

InChI

InChI=1S/C9H14N2/c10-6-2-1-4-9-5-3-7-11-8-9/h3,5,7-8H,1-2,4,6,10H2

InChIKey

WSPOELFRDPKVAZ-UHFFFAOYSA-N

Compound name

4-pyridin-3-ylbutan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 85
Patents: 150.11569 Da
Monoisotopic Mass: 0.9
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	144.8
[M+NH4]+	168.14951	141.4
[M+K]+	189.07885	137.6
[M-H]-	149.10841	135.3
[M+Na-2H]-	171.09036	140.3
[M]+	150.11514	135.0
[M]-	150.11624	135.0

Literature stripe

literature stripe

Patent stripe

patents stripe