CID 3043687

3,4-piperidinediol, 1,3-dimethyl-6-phenyl-, (3-alpha,4-beta,6-beta)-

Structural Information

Molecular Formula
C13H19NO2
SMILES
C[C@@]1(CN([C@@H](C[C@@H]1O)C2=CC=CC=C2)C)O
InChI
InChI=1S/C13H19NO2/c1-13(16)9-14(2)11(8-12(13)15)10-6-4-3-5-7-10/h3-7,11-12,15-16H,8-9H2,1-2H3/t11-,12-,13-/m0/s1
InChIKey
CPDAVIZHKGVASM-AVGNSLFASA-N
Compound name
(3S,4S,6S)-1,3-dimethyl-6-phenylpiperidine-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.14159 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.14887 151.4
[M+Na]+ 244.13081 163.9
[M+NH4]+ 239.17541 160.9
[M+K]+ 260.10475 155.7
[M-H]- 220.13431 154.3
[M+Na-2H]- 242.11626 159.1
[M]+ 221.14104 154.1
[M]- 221.14214 154.1
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.