CID 99059

74051-42-6

Structural Information

Molecular Formula
C21H29NO3
SMILES
CN1C2CCC1C(CC2)OC(=O)C(C3CCCC3)(C4=CC=CC=C4)O
InChI
InChI=1S/C21H29NO3/c1-22-17-11-13-18(22)19(14-12-17)25-20(23)21(24,16-9-5-6-10-16)15-7-3-2-4-8-15/h2-4,7-8,16-19,24H,5-6,9-14H2,1H3
InChIKey
LZCYWXGWYVKLRQ-UHFFFAOYSA-N
Compound name
(8-methyl-8-azabicyclo[3.2.1]octan-2-yl) 2-cyclopentyl-2-hydroxy-2-phenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

343.21475 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.22203 183.1
[M+Na]+ 366.20397 190.6
[M+NH4]+ 361.24857 190.7
[M+K]+ 382.17791 188.9
[M-H]- 342.20747 185.3
[M+Na-2H]- 364.18942 185.3
[M]+ 343.21420 184.4
[M]- 343.21530 184.4
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.