CID 3050450

4-piperidone, 1-equatorial,3-axial-dimethyl-3-equatorial-hydroxy-6-equatorial-(1-naphthyl)-, hydrochloride

Structural Information

Molecular Formula
C17H19NO2
SMILES
C[C@]1(CN([C@@H](CC1=O)C2=CC=CC3=CC=CC=C32)C)O
InChI
InChI=1S/C17H19NO2/c1-17(20)11-18(2)15(10-16(17)19)14-9-5-7-12-6-3-4-8-13(12)14/h3-9,15,20H,10-11H2,1-2H3/t15-,17+/m0/s1
InChIKey
IYAMAQNDTFJEOF-DOTOQJQBSA-N
Compound name
(2S,5R)-5-hydroxy-1,5-dimethyl-2-naphthalen-1-ylpiperidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.14157 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.148846 163.1
[M+Na]+ 292.130788 171.2
[M-H]- 268.134294 168.0
[M+NH4]+ 287.175393 180.7
[M+K]+ 308.104728 166.3
[M+H-H2O]+ 252.138830 155.1
[M+HCOO]- 314.139771 179.6
[M+CH3COO]- 328.155421 174.2
[M+Na-2H]- 290.116236 167.4
[M]+ 269.14102142 160.3
[M]- 269.14211858 160.3
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.