CID 3078346

3,4-piperidinediol, 1,3-dimethyl-4-ethynyl-6-(4-fluorophenyl)-, (3-alpha,4-beta,6-beta)-

Structural Information

Molecular Formula
C15H18FNO2
SMILES
C[C@@]1(CN([C@@H](C[C@]1(C#C)O)C2=CC=C(C=C2)F)C)O
InChI
InChI=1S/C15H18FNO2/c1-4-15(19)9-13(17(3)10-14(15,2)18)11-5-7-12(16)8-6-11/h1,5-8,13,18-19H,9-10H2,2-3H3/t13-,14-,15-/m0/s1
InChIKey
ZFYNRIXJKNESEJ-KKUMJFAQSA-N
Compound name
(3S,4R,6S)-4-ethynyl-6-(4-fluorophenyl)-1,3-dimethylpiperidine-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.13217 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.13945 156.3
[M+Na]+ 286.12139 167.9
[M+NH4]+ 281.16599 162.1
[M+K]+ 302.09533 155.7
[M-H]- 262.12489 149.2
[M+Na-2H]- 284.10684 160.9
[M]+ 263.13162 155.3
[M]- 263.13272 155.3
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.