CID 22179853

1-(4,4-dimethylcyclohexyl)piperazine

Structural Information

Molecular Formula

C₁₂H₂₄N₂

SMILES

CC1(CCC(CC1)N2CCNCC2)C

InChI

InChI=1S/C12H24N2/c1-12(2)5-3-11(4-6-12)14-9-7-13-8-10-14/h11,13H,3-10H2,1-2H3

InChIKey

UCCRHYGCBXQYBZ-UHFFFAOYSA-N

Compound name

1-(4,4-dimethylcyclohexyl)piperazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 196.19395 Da
Monoisotopic Mass: 2.1
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	151.5
[M+Na]+	219.18317	161.8
[M+NH4]+	214.22777	161.6
[M+K]+	235.15711	152.9
[M-H]-	195.18667	154.4
[M+Na-2H]-	217.16862	157.9
[M]+	196.19340	153.7
[M]-	196.19450	153.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe