CID 48824

6-azabicyclo(3.2.1)octane, 6-cyclohexyl-1-(m-hydroxyphenyl)-7-methyl-, hydrochloride

Structural Information

Molecular Formula
C20H29NO
SMILES
CC1C2(CCCC(C2)N1C3CCCCC3)C4=CC(=CC=C4)O
InChI
InChI=1S/C20H29NO/c1-15-20(16-7-5-11-19(22)13-16)12-6-10-18(14-20)21(15)17-8-3-2-4-9-17/h5,7,11,13,15,17-18,22H,2-4,6,8-10,12,14H2,1H3
InChIKey
XELQVRYAXSJHKB-UHFFFAOYSA-N
Compound name
3-(6-cyclohexyl-7-methyl-6-azabicyclo[3.2.1]octan-1-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.2249 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.232176 175.7
[M+Na]+ 322.214118 178.9
[M-H]- 298.217624 180.5
[M+NH4]+ 317.258723 193.6
[M+K]+ 338.188058 173.2
[M+H-H2O]+ 282.222160 167.0
[M+HCOO]- 344.223101 187.0
[M+CH3COO]- 358.238751 184.2
[M+Na-2H]- 320.199566 175.1
[M]+ 299.22435142 167.1
[M]- 299.22544858 167.1
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.