CID 3078232

Cyclohexanol, 1-methyl-2-(4-phenyl-1-piperidinyl)-, trans-(+-)-

Structural Information

Molecular Formula
C18H27NO
SMILES
C[C@@]1(CCCC[C@H]1N2CCC(CC2)C3=CC=CC=C3)O
InChI
InChI=1S/C18H27NO/c1-18(20)12-6-5-9-17(18)19-13-10-16(11-14-19)15-7-3-2-4-8-15/h2-4,7-8,16-17,20H,5-6,9-14H2,1H3/t17-,18+/m1/s1
InChIKey
MTZSQYKBMOJIJJ-MSOLQXFVSA-N
Compound name
(1S,2R)-1-methyl-2-(4-phenylpiperidin-1-yl)cyclohexan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.20926 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.21654 169.2
[M+Na]+ 296.19848 171.6
[M-H]- 272.20198 174.4
[M+NH4]+ 291.24308 184.5
[M+K]+ 312.17242 167.1
[M+H-H2O]+ 256.20652 160.0
[M+HCOO]- 318.20746 182.3
[M+CH3COO]- 332.22311 177.8
[M+Na-2H]- 294.18393 170.4
[M]+ 273.20871 159.4
[M]- 273.20981 159.4
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.