CID 2737531

4-amino-1-methylpiperidine

Structural Information

Molecular Formula

C₆H₁₄N₂

SMILES

CN1CCC(CC1)N

InChI

InChI=1S/C6H14N2/c1-8-4-2-6(7)3-5-8/h6H,2-5,7H2,1H3

InChIKey

ALOCUZOKRULSAA-UHFFFAOYSA-N

Compound name

1-methylpiperidin-4-amine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 8112
Patents: 114.1157 Da
Monoisotopic Mass: -0.1
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]+	115.122976	124.8
[M+Na]+	137.104918	130.5
[M-H]-	113.108424	126.1
[M+NH4]+	132.149523	145.7
[M+K]+	153.078858	129.6
[M+H-H2O]+	97.112960	118.8
[M+HCOO]-	159.113901	145.1
[M+CH3COO]-	173.129551	171.1
[M+Na-2H]-	135.090366	130.2
[M]+	114.11515142	118.5
[M]-	114.11624858	118.5

Literature stripe

literature stripe

Patent stripe

patents stripe