CID 18001817

863377-24-6

Structural Information

Molecular Formula

C₁₂H₂₅N₃

SMILES

C1CCN(CC1)CCN2CCC(CC2)N

InChI

InChI=1S/C12H25N3/c13-12-4-8-15(9-5-12)11-10-14-6-2-1-3-7-14/h12H,1-11,13H2

InChIKey

BLQRZAFDGUVKAC-UHFFFAOYSA-N

Compound name

1-(2-piperidin-1-ylethyl)piperidin-4-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 29
Patents: 211.20485 Da
Monoisotopic Mass: 0.8
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	155.3
[M-H]-	210.197574	155.1
[M+NH4]+	229.238673	168.8
[M+K]+	250.168008	152.5
[M+H-H2O]+	194.202110	144.7
[M+HCOO]-	256.203051	168.0
[M+CH3COO]-	270.218701	188.9
[M+Na-2H]-	232.179516	155.6
[M]+	211.20430142	143.4
[M]-	211.20539858	143.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe