CID 2737253

111594-93-5

Structural Information

Molecular Formula

C₁₂H₂₅N₃

SMILES

C1CCN(CC1)CCCN2CCNCC2

InChI

InChI=1S/C12H25N3/c1-2-7-14(8-3-1)9-4-10-15-11-5-13-6-12-15/h13H,1-12H2

InChIKey

BUNQOMWDCRZFPU-UHFFFAOYSA-N

Compound name

1-(3-piperidin-1-ylpropyl)piperazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 141
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	155.5
[M+Na]+	234.194068	156.2
[M-H]-	210.197574	153.8
[M+NH4]+	229.238673	168.3
[M+K]+	250.168008	152.8
[M+H-H2O]+	194.202110	145.3
[M+HCOO]-	256.203051	166.1
[M+CH3COO]-	270.218701	183.8
[M+Na-2H]-	232.179516	157.7
[M]+	211.20430142	144.8
[M]-	211.20539858	144.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe