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
2
Annotation Hits

0
References

2095
Patents

247.15723 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.164506 158.9
[M+Na]+ 270.146448 164.4
[M-H]- 246.149954 162.4
[M+NH4]+ 265.191053 176.0
[M+K]+ 286.120388 161.3
[M+H-H2O]+ 230.154490 151.7
[M+HCOO]- 292.155431 175.5
[M+CH3COO]- 306.171081 191.4
[M+Na-2H]- 268.131896 161.5
[M]+ 247.15668142 155.3
[M]- 247.15777858 155.3
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

patents stripe