CID 58808

101711-00-6

Structural Information

Molecular Formula
C19H27NO3
SMILES
CC1C(C2CCN1CC2)OC(=O)C(C3=CC=CC=C3)(C(C)C)O
InChI
InChI=1S/C19H27NO3/c1-13(2)19(22,16-7-5-4-6-8-16)18(21)23-17-14(3)20-11-9-15(17)10-12-20/h4-8,13-15,17,22H,9-12H2,1-3H3
InChIKey
MLORIUYYKBHBAX-UHFFFAOYSA-N
Compound name
(2-methyl-1-azabicyclo[2.2.2]octan-3-yl) 2-hydroxy-3-methyl-2-phenylbutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.1991 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.20638 171.5
[M+Na]+ 340.18832 180.6
[M+NH4]+ 335.23292 180.0
[M+K]+ 356.16226 175.0
[M-H]- 316.19182 169.6
[M+Na-2H]- 338.17377 169.7
[M]+ 317.19855 172.1
[M]- 317.19965 172.1
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.