CID 2735889

1-cyclooctylpiperazine

Structural Information

Molecular Formula

C₁₂H₂₄N₂

SMILES

C1CCCC(CCC1)N2CCNCC2

InChI

InChI=1S/C12H24N2/c1-2-4-6-12(7-5-3-1)14-10-8-13-9-11-14/h12-13H,1-11H2

InChIKey

PXPPUXBOQHHYEJ-UHFFFAOYSA-N

Compound name

1-cyclooctylpiperazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 72
Patents: 196.19395 Da
Monoisotopic Mass: 2.5
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]+	197.20123	143.0
[M+Na]+	219.18317	146.2
[M+NH4]+	214.22777	145.9
[M+K]+	235.15711	145.5
[M-H]-	195.18667	144.0
[M+Na-2H]-	217.16862	146.4
[M]+	196.19340	143.6
[M]-	196.19450	143.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe