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

2128
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 158.9
[M+Na]+ 270.14645 164.4
[M-H]- 246.14995 162.4
[M+NH4]+ 265.19105 176.0
[M+K]+ 286.12039 161.3
[M+H-H2O]+ 230.15449 151.7
[M+HCOO]- 292.15543 175.5
[M+CH3COO]- 306.17108 191.4
[M+Na-2H]- 268.13190 161.5
[M]+ 247.15668 155.3
[M]- 247.15778 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