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]+ 316.26351 181.5
[M+Na]+ 338.24545 183.0
[M-H]- 314.24895 186.4
[M+NH4]+ 333.29005 193.5
[M+K]+ 354.21939 178.1
[M+H-H2O]+ 298.25349 172.3
[M+HCOO]- 360.25443 191.9
[M+CH3COO]- 374.27008 206.4
[M+Na-2H]- 336.23090 180.4
[M]+ 315.25568 172.4
[M]- 315.25678 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.