CID 3078230

(+-)-trans-2-(4-benzylpiperidino)cyclohexanol

Structural Information

Molecular Formula
C18H27NO
SMILES
C1CC[C@H]([C@@H](C1)N2CCC(CC2)CC3=CC=CC=C3)O
InChI
InChI=1S/C18H27NO/c20-18-9-5-4-8-17(18)19-12-10-16(11-13-19)14-15-6-2-1-3-7-15/h1-3,6-7,16-18,20H,4-5,8-14H2/t17-,18-/m1/s1
InChIKey
ZENDJZOIUGRXAX-QZTJIDSGSA-N
Compound name
(1R,2R)-2-(4-benzylpiperidin-1-yl)cyclohexan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

273.20926 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.21654 168.4
[M+Na]+ 296.19848 169.7
[M-H]- 272.20198 173.1
[M+NH4]+ 291.24308 181.5
[M+K]+ 312.17242 164.8
[M+H-H2O]+ 256.20652 158.8
[M+HCOO]- 318.20746 181.4
[M+CH3COO]- 332.22311 176.5
[M+Na-2H]- 294.18393 168.6
[M]+ 273.20871 158.3
[M]- 273.20981 158.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.