CID 37473

Brn 1549902

Structural Information

Molecular Formula
C20H27NO2
SMILES
C1CC2CCC(C(C1)C2=O)N3CCC(CC3)(C4=CC=CC=C4)O
InChI
InChI=1S/C20H27NO2/c22-19-15-5-4-8-17(19)18(10-9-15)21-13-11-20(23,12-14-21)16-6-2-1-3-7-16/h1-3,6-7,15,17-18,23H,4-5,8-14H2
InChIKey
OLDOFCOCMRKGFP-UHFFFAOYSA-N
Compound name
2-(4-hydroxy-4-phenylpiperidin-1-yl)bicyclo[3.3.1]nonan-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

313.2042 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.21148 177.8
[M+Na]+ 336.19342 180.0
[M-H]- 312.19692 181.8
[M+NH4]+ 331.23802 192.7
[M+K]+ 352.16736 174.6
[M+H-H2O]+ 296.20146 167.8
[M+HCOO]- 358.20240 186.9
[M+CH3COO]- 372.21805 185.1
[M+Na-2H]- 334.17887 179.1
[M]+ 313.20365 167.5
[M]- 313.20475 167.5
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.