CID 3044818

Carbinol, (3-quinuclidyl) cyclohexyl phenyl, hydrochloride

Structural Information

Molecular Formula
C20H29NO
SMILES
C1CCC(CC1)C(C2CN3CCC2CC3)(C4=CC=CC=C4)O
InChI
InChI=1S/C20H29NO/c22-20(17-7-3-1-4-8-17,18-9-5-2-6-10-18)19-15-21-13-11-16(19)12-14-21/h1,3-4,7-8,16,18-19,22H,2,5-6,9-15H2
InChIKey
MFPSKBJNXMJRJP-UHFFFAOYSA-N
Compound name
1-azabicyclo[2.2.2]octan-3-yl-cyclohexyl-phenylmethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

299.2249 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.23218 169.0
[M+Na]+ 322.21412 167.6
[M-H]- 298.21762 166.9
[M+NH4]+ 317.25872 185.2
[M+K]+ 338.18806 162.6
[M+H-H2O]+ 282.22216 160.4
[M+HCOO]- 344.22310 171.8
[M+CH3COO]- 358.23875 174.7
[M+Na-2H]- 320.19957 176.6
[M]+ 299.22435 162.0
[M]- 299.22545 162.0
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

patents stripe