CID 3078237

(+-)-cis-4-tert-butyl-2-(4-phenylpiperidino)cyclohexanol hydrochloride

Structural Information

Molecular Formula
C21H33NO
SMILES
CC(C)(C)[C@@H]1CC[C@@H]([C@H](C1)N2CCC(CC2)C3=CC=CC=C3)O
InChI
InChI=1S/C21H33NO/c1-21(2,3)18-9-10-20(23)19(15-18)22-13-11-17(12-14-22)16-7-5-4-6-8-16/h4-8,17-20,23H,9-15H2,1-3H3/t18-,19+,20+/m1/s1
InChIKey
RPVNWNSCIMFVSA-AABGKKOBSA-N
Compound name
(1S,2S,4R)-4-tert-butyl-2-(4-phenylpiperidin-1-yl)cyclohexan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.25623 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.263506 181.5
[M+Na]+ 338.245448 183.0
[M-H]- 314.248954 186.4
[M+NH4]+ 333.290053 193.5
[M+K]+ 354.219388 178.1
[M+H-H2O]+ 298.253490 172.3
[M+HCOO]- 360.254431 191.9
[M+CH3COO]- 374.270081 206.4
[M+Na-2H]- 336.230896 180.4
[M]+ 315.25568142 172.4
[M]- 315.25677858 172.4
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.