CID 210733

Piperazine, 4-methyl-1-(1-(o-tolyl)cyclohexyl)-, hydrochloride

Structural Information

Molecular Formula
C18H28N2
SMILES
CC1=CC=CC=C1C2(CCCCC2)N3CCN(CC3)C
InChI
InChI=1S/C18H28N2/c1-16-8-4-5-9-17(16)18(10-6-3-7-11-18)20-14-12-19(2)13-15-20/h4-5,8-9H,3,6-7,10-15H2,1-2H3
InChIKey
BFSJQNYARLGCEX-UHFFFAOYSA-N
Compound name
1-methyl-4-[1-(2-methylphenyl)cyclohexyl]piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.22525 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.23253 170.1
[M+Na]+ 295.21447 172.9
[M-H]- 271.21797 175.0
[M+NH4]+ 290.25907 184.7
[M+K]+ 311.18841 168.5
[M+H-H2O]+ 255.22251 159.4
[M+HCOO]- 317.22345 183.1
[M+CH3COO]- 331.23910 178.7
[M+Na-2H]- 293.19992 171.5
[M]+ 272.22470 161.1
[M]- 272.22580 161.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.