CID 11972137

1-(3-pyridyl)-1-butylamine

Structural Information

Molecular Formula

C₉H₁₄N₂

SMILES

CCCC(C1=CN=CC=C1)N

InChI

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

InChIKey

DFVSEQGCMQSLKO-UHFFFAOYSA-N

Compound name

1-pyridin-3-ylbutan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 45
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	133.0
[M+Na]+	173.10491	144.9
[M+NH4]+	168.14951	141.6
[M+K]+	189.07885	138.4
[M-H]-	149.10841	135.4
[M+Na-2H]-	171.09036	140.2
[M]+	150.11514	135.3
[M]-	150.11624	135.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe