CID 22767593

1-(pyridin-2-yl)butan-1-amine

Structural Information

Molecular Formula

C₉H₁₄N₂

SMILES

CCCC(C1=CC=CC=N1)N

InChI

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

InChIKey

BFKHSLAQEYFTPC-UHFFFAOYSA-N

Compound name

1-pyridin-2-ylbutan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 104
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	133.3
[M+Na]+	173.10491	139.7
[M-H]-	149.10841	134.9
[M+NH4]+	168.14951	152.7
[M+K]+	189.07885	137.7
[M+H-H2O]+	133.11295	126.6
[M+HCOO]-	195.11389	156.1
[M+CH3COO]-	209.12954	178.9
[M+Na-2H]-	171.09036	139.7
[M]+	150.11514	131.4
[M]-	150.11624	131.4

Literature stripe

literature stripe

Patent stripe

patents stripe