CID 4778264

775288-46-5

Structural Information

Molecular Formula

C₁₂H₂₅N₃

SMILES

CN1CCN(CC1)CCC2CCNCC2

InChI

InChI=1S/C12H25N3/c1-14-8-10-15(11-9-14)7-4-12-2-5-13-6-3-12/h12-13H,2-11H2,1H3

InChIKey

BREHWAOTQHCZJW-UHFFFAOYSA-N

Compound name

1-methyl-4-(2-piperidin-4-ylethyl)piperazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 29
Patents: 211.20485 Da
Monoisotopic Mass: 0.7
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	156.1
[M+Na]+	234.194068	157.8
[M-H]-	210.197574	154.9
[M+NH4]+	229.238673	169.3
[M+K]+	250.168008	154.4
[M+H-H2O]+	194.202110	146.3
[M+HCOO]-	256.203051	166.8
[M+CH3COO]-	270.218701	184.9
[M+Na-2H]-	232.179516	157.6
[M]+	211.20430142	145.8
[M]-	211.20539858	145.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe