CID 3069443

Cis-1,3-dimethyl-4-ethynyl-6-phenyl-3,4-piperidinediol

Structural Information

Molecular Formula
C15H19NO2
SMILES
C[C@@]1(CN([C@@H](C[C@]1(C#C)O)C2=CC=CC=C2)C)O
InChI
InChI=1S/C15H19NO2/c1-4-15(18)10-13(12-8-6-5-7-9-12)16(3)11-14(15,2)17/h1,5-9,13,17-18H,10-11H2,2-3H3/t13-,14-,15-/m0/s1
InChIKey
CCFDMNFFOBENMZ-KKUMJFAQSA-N
Compound name
(3S,4R,6S)-4-ethynyl-1,3-dimethyl-6-phenylpiperidine-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.14159 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.14887 152.7
[M+Na]+ 268.13081 164.7
[M+NH4]+ 263.17541 159.3
[M+K]+ 284.10475 152.5
[M-H]- 244.13431 147.2
[M+Na-2H]- 266.11626 158.4
[M]+ 245.14104 152.3
[M]- 245.14214 152.3
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.