CID 3078339

Trans-1,3-dimethyl-4-ethynyl-6-(4-methoxyphenyl)-3,4-piperidinediol

Structural Information

Molecular Formula
C16H21NO3
SMILES
C[C@@]1(CN([C@@H](C[C@@]1(C#C)O)C2=CC=C(C=C2)OC)C)O
InChI
InChI=1S/C16H21NO3/c1-5-16(19)10-14(17(3)11-15(16,2)18)12-6-8-13(20-4)9-7-12/h1,6-9,14,18-19H,10-11H2,2-4H3/t14-,15-,16+/m0/s1
InChIKey
PSZNYNIWWBSFKB-HRCADAONSA-N
Compound name
(3S,4S,6S)-4-ethynyl-6-(4-methoxyphenyl)-1,3-dimethylpiperidine-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.15213 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.15941 157.9
[M+Na]+ 298.14135 169.5
[M+NH4]+ 293.18595 163.8
[M+K]+ 314.11529 157.8
[M-H]- 274.14485 151.9
[M+Na-2H]- 296.12680 162.8
[M]+ 275.15158 157.2
[M]- 275.15268 157.2
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.