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: 51
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]+	151.122966	133.3
[M+Na]+	173.104908	139.7
[M-H]-	149.108414	134.9
[M+NH4]+	168.149513	152.7
[M+K]+	189.078848	137.7
[M+H-H2O]+	133.112950	126.6
[M+HCOO]-	195.113891	156.1
[M+CH3COO]-	209.129541	178.9
[M+Na-2H]-	171.090356	139.7
[M]+	150.11514142	131.4
[M]-	150.11623858	131.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe