CID 3049093

64471-18-7

Structural Information

Molecular Formula
C20H27NO3
SMILES
CN1C2CCC1C(CC2)OC(=O)C(C3CCC3)(C4=CC=CC=C4)O
InChI
InChI=1S/C20H27NO3/c1-21-16-10-12-17(21)18(13-11-16)24-19(22)20(23,15-8-5-9-15)14-6-3-2-4-7-14/h2-4,6-7,15-18,23H,5,8-13H2,1H3
InChIKey
JQQGTACLWAUYDA-UHFFFAOYSA-N
Compound name
(8-methyl-8-azabicyclo[3.2.1]octan-2-yl) 2-cyclobutyl-2-hydroxy-2-phenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

329.1991 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.20638 176.8
[M+Na]+ 352.18832 177.9
[M-H]- 328.19182 181.5
[M+NH4]+ 347.23292 184.9
[M+K]+ 368.16226 177.5
[M+H-H2O]+ 312.19636 164.3
[M+HCOO]- 374.19730 187.4
[M+CH3COO]- 388.21295 209.4
[M+Na-2H]- 350.17377 176.7
[M]+ 329.19855 181.3
[M]- 329.19965 181.3
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

No patent data available for this compound.