CID 795707

1-methyl-4-(piperidin-4-yl)piperazine

Structural Information

Molecular Formula

C₁₀H₂₁N₃

SMILES

CN1CCN(CC1)C2CCNCC2

InChI

InChI=1S/C10H21N3/c1-12-6-8-13(9-7-12)10-2-4-11-5-3-10/h10-11H,2-9H2,1H3

InChIKey

MRYYJGQKVGZGSB-UHFFFAOYSA-N

Compound name

1-methyl-4-piperidin-4-ylpiperazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1319
Patents: 183.17355 Da
Monoisotopic Mass: 0.2
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]+	184.18083	146.9
[M+Na]+	206.16277	157.2
[M+NH4]+	201.20737	154.9
[M+K]+	222.13671	150.7
[M-H]-	182.16627	148.9
[M+Na-2H]-	204.14822	151.8
[M]+	183.17300	148.6
[M]-	183.17410	148.6

Literature stripe

literature stripe

Patent stripe

patents stripe