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]+ 270.14885 163.1
[M+Na]+ 292.13079 171.2
[M-H]- 268.13429 168.0
[M+NH4]+ 287.17539 180.7
[M+K]+ 308.10473 166.3
[M+H-H2O]+ 252.13883 155.1
[M+HCOO]- 314.13977 179.6
[M+CH3COO]- 328.15542 174.2
[M+Na-2H]- 290.11624 167.4
[M]+ 269.14102 160.3
[M]- 269.14212 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.