CID 808817

Eukain b

Structural Information

Molecular Formula
C15H21NO2
SMILES
C[C@H]1C[C@H](CC(N1)(C)C)OC(=O)C2=CC=CC=C2
InChI
InChI=1S/C15H21NO2/c1-11-9-13(10-15(2,3)16-11)18-14(17)12-7-5-4-6-8-12/h4-8,11,13,16H,9-10H2,1-3H3/t11-,13+/m0/s1
InChIKey
ZYHGIAPHLSTGMX-WCQYABFASA-N
Compound name
[(4R,6S)-2,2,6-trimethylpiperidin-4-yl] benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1895
Patents

247.15723 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.16451 159.6
[M+Na]+ 270.14645 171.5
[M+NH4]+ 265.19105 168.7
[M+K]+ 286.12039 163.1
[M-H]- 246.14995 162.4
[M+Na-2H]- 268.13190 167.1
[M]+ 247.15668 162.1
[M]- 247.15778 162.1
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

patents stripe