CID 210737

Piperidine, 1-(4-tert-butyl-1-phenylcyclohexyl)-, hydrochloride

Structural Information

Molecular Formula
C21H33N
SMILES
CC(C)(C)C1CCC(CC1)(C2=CC=CC=C2)N3CCCCC3
InChI
InChI=1S/C21H33N/c1-20(2,3)18-12-14-21(15-13-18,19-10-6-4-7-11-19)22-16-8-5-9-17-22/h4,6-7,10-11,18H,5,8-9,12-17H2,1-3H3
InChIKey
LHYFVODMMVABLM-UHFFFAOYSA-N
Compound name
1-(4-tert-butyl-1-phenylcyclohexyl)piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.2613 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.26858 178.4
[M+Na]+ 322.25052 179.4
[M-H]- 298.25402 184.2
[M+NH4]+ 317.29512 193.2
[M+K]+ 338.22446 175.1
[M+H-H2O]+ 282.25856 168.7
[M+HCOO]- 344.25950 190.1
[M+CH3COO]- 358.27515 204.0
[M+Na-2H]- 320.23597 179.8
[M]+ 299.26075 169.0
[M]- 299.26185 169.0
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.