CID 7219944

876717-83-8

Structural Information

Molecular Formula

C₁₂H₂₅N₃

SMILES

CN1CCC(CC1)(CN)N2CCCCC2

InChI

InChI=1S/C12H25N3/c1-14-9-5-12(11-13,6-10-14)15-7-3-2-4-8-15/h2-11,13H2,1H3

InChIKey

ALKYOCFYYIHZIX-UHFFFAOYSA-N

Compound name

(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 211.20485 Da
Monoisotopic Mass: 0.6
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]+	212.212126	154.0
[M+Na]+	234.194068	156.3
[M-H]-	210.197574	155.6
[M+NH4]+	229.238673	170.9
[M+K]+	250.168008	153.9
[M+H-H2O]+	194.202110	145.4
[M+HCOO]-	256.203051	168.1
[M+CH3COO]-	270.218701	188.4
[M+Na-2H]-	232.179516	156.6
[M]+	211.20430142	143.7
[M]-	211.20539858	143.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.