CID 2735884

1-(2-cyclohexylethyl)piperazine

Structural Information

Molecular Formula

C₁₂H₂₄N₂

SMILES

C1CCC(CC1)CCN2CCNCC2

InChI

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

InChIKey

GMQBFYMARPSPAF-UHFFFAOYSA-N

Compound name

1-(2-cyclohexylethyl)piperazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 119
Patents: 196.19395 Da
Monoisotopic Mass: 2.7
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]+	197.20123	151.6
[M+Na]+	219.18317	161.4
[M+NH4]+	214.22777	160.2
[M+K]+	235.15711	153.9
[M-H]-	195.18667	154.4
[M+Na-2H]-	217.16862	156.7
[M]+	196.19340	153.5
[M]-	196.19450	153.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe