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

1
Annotation Hits: 2
References: 8350
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]+	115.12298	124.8
[M+Na]+	137.10492	130.5
[M-H]-	113.10842	126.1
[M+NH4]+	132.14952	145.7
[M+K]+	153.07886	129.6
[M+H-H2O]+	97.112960	118.8
[M+HCOO]-	159.11390	145.1
[M+CH3COO]-	173.12955	171.1
[M+Na-2H]-	135.09037	130.2
[M]+	114.11515	118.5
[M]-	114.11625	118.5

Literature stripe

literature stripe

Patent stripe

patents stripe