CID 37473

36524-94-4

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]+ 314.211476 177.8
[M+Na]+ 336.193418 180.0
[M-H]- 312.196924 181.8
[M+NH4]+ 331.238023 192.7
[M+K]+ 352.167358 174.6
[M+H-H2O]+ 296.201460 167.8
[M+HCOO]- 358.202401 186.9
[M+CH3COO]- 372.218051 185.1
[M+Na-2H]- 334.178866 179.1
[M]+ 313.20365142 167.5
[M]- 313.20474858 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.