CID 3078343

Brn 3554380

Structural Information

Molecular Formula
C17H23NO2
SMILES
CC1=CC(=C(C=C1)[C@@H]2C[C@]([C@@](CN2C)(C)O)(C#C)O)C
InChI
InChI=1S/C17H23NO2/c1-6-17(20)10-15(18(5)11-16(17,4)19)14-8-7-12(2)9-13(14)3/h1,7-9,15,19-20H,10-11H2,2-5H3/t15-,16-,17-/m0/s1
InChIKey
CGXPMEIRJZQJQM-ULQDDVLXSA-N
Compound name
(3S,4R,6S)-6-(2,4-dimethylphenyl)-4-ethynyl-1,3-dimethylpiperidine-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.17288 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.18016 157.7
[M+Na]+ 296.16210 170.0
[M+NH4]+ 291.20670 164.0
[M+K]+ 312.13604 157.9
[M-H]- 272.16560 152.2
[M+Na-2H]- 294.14755 162.7
[M]+ 273.17233 157.4
[M]- 273.17343 157.4
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.