CID 3050454

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

Structural Information

Molecular Formula
C13H16FNO2
SMILES
C[C@]1(CN([C@@H](CC1=O)C2=CC=CC=C2F)C)O
InChI
InChI=1S/C13H16FNO2/c1-13(17)8-15(2)11(7-12(13)16)9-5-3-4-6-10(9)14/h3-6,11,17H,7-8H2,1-2H3/t11-,13+/m0/s1
InChIKey
KDSJVSVECBBTBJ-WCQYABFASA-N
Compound name
(2S,5R)-2-(2-fluorophenyl)-5-hydroxy-1,5-dimethylpiperidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.1165 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.12378 151.6
[M+Na]+ 260.10572 160.1
[M-H]- 236.10922 154.7
[M+NH4]+ 255.15032 169.7
[M+K]+ 276.07966 156.5
[M+H-H2O]+ 220.11376 144.1
[M+HCOO]- 282.11470 168.7
[M+CH3COO]- 296.13035 190.2
[M+Na-2H]- 258.09117 154.5
[M]+ 237.11595 147.7
[M]- 237.11705 147.7
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.