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]+ 238.123776 151.6
[M+Na]+ 260.105718 160.1
[M-H]- 236.109224 154.7
[M+NH4]+ 255.150323 169.7
[M+K]+ 276.079658 156.5
[M+H-H2O]+ 220.113760 144.1
[M+HCOO]- 282.114701 168.7
[M+CH3COO]- 296.130351 190.2
[M+Na-2H]- 258.091166 154.5
[M]+ 237.11595142 147.7
[M]- 237.11704858 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.