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 158.1
[M+Na]+ 268.13081 168.6
[M-H]- 244.13431 159.5
[M+NH4]+ 263.17541 175.0
[M+K]+ 284.10475 161.3
[M+H-H2O]+ 228.13885 146.5
[M+HCOO]- 290.13979 169.2
[M+CH3COO]- 304.15544 196.1
[M+Na-2H]- 266.11626 161.1
[M]+ 245.14104 149.4
[M]- 245.14214 149.4
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.