CID 18428650

5-butylpyridin-2-amine hydrochloride

Structural Information

Molecular Formula

C₉H₁₄N₂

SMILES

CCCCC1=CN=C(C=C1)N

InChI

InChI=1S/C9H14N2/c1-2-3-4-8-5-6-9(10)11-7-8/h5-7H,2-4H2,1H3,(H2,10,11)

InChIKey

HMENCODZBOKPIA-UHFFFAOYSA-N

Compound name

5-butylpyridin-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 70
Patents: 150.11569 Da
Monoisotopic Mass: 2.5
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	132.6
[M+Na]+	173.104908	140.2
[M-H]-	149.108414	134.5
[M+NH4]+	168.149513	152.3
[M+K]+	189.078848	137.8
[M+H-H2O]+	133.112950	126.0
[M+HCOO]-	195.113891	156.3
[M+CH3COO]-	209.129541	179.2
[M+Na-2H]-	171.090356	139.5
[M]+	150.11514142	131.7
[M]-	150.11623858	131.7

Literature stripe

literature stripe

Patent stripe

patents stripe