CID 3078338

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

Structural Information

Molecular Formula
C16H21NO2
SMILES
CC1=CC=C(C=C1)[C@@H]2C[C@@]([C@@](CN2C)(C)O)(C#C)O
InChI
InChI=1S/C16H21NO2/c1-5-16(19)10-14(17(4)11-15(16,3)18)13-8-6-12(2)7-9-13/h1,6-9,14,18-19H,10-11H2,2-4H3/t14-,15-,16+/m0/s1
InChIKey
XDNDBMFQHOOPHT-HRCADAONSA-N
Compound name
(3S,4S,6S)-4-ethynyl-1,3-dimethyl-6-(4-methylphenyl)piperidine-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.15723 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.16451 155.2
[M+Na]+ 282.14645 167.3
[M+NH4]+ 277.19105 161.6
[M+K]+ 298.12039 155.1
[M-H]- 258.14995 149.7
[M+Na-2H]- 280.13190 160.5
[M]+ 259.15668 154.8
[M]- 259.15778 154.8
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.