CID 21890114

3-(piperidin-1-yl)butan-1-amine

Structural Information

Molecular Formula

C₉H₂₀N₂

SMILES

CC(CCN)N1CCCCC1

InChI

InChI=1S/C9H20N2/c1-9(5-6-10)11-7-3-2-4-8-11/h9H,2-8,10H2,1H3

InChIKey

JALHJUKRXXWMPV-UHFFFAOYSA-N

Compound name

3-piperidin-1-ylbutan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
Patents: 156.16264 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]+	157.16992	138.1
[M+Na]+	179.15186	147.1
[M+NH4]+	174.19646	146.5
[M+K]+	195.12580	141.3
[M-H]-	155.15536	140.0
[M+Na-2H]-	177.13731	142.5
[M]+	156.16209	139.6
[M]-	156.16319	139.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe