CID 3064008

3-alpha-tropanyl-(1-hydroxycyclopentyl)phenylacetate hydrochloride

Structural Information

Molecular Formula
C21H29NO3
SMILES
CN1C2CCC1CC(C2)OC(=O)C(C3=CC=CC=C3)C4(CCCC4)O
InChI
InChI=1S/C21H29NO3/c1-22-16-9-10-17(22)14-18(13-16)25-20(23)19(15-7-3-2-4-8-15)21(24)11-5-6-12-21/h2-4,7-8,16-19,24H,5-6,9-14H2,1H3
InChIKey
WSPKSISSKPUQDG-UHFFFAOYSA-N
Compound name
(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-(1-hydroxycyclopentyl)-2-phenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

343.21475 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.22203 185.1
[M+Na]+ 366.20397 192.7
[M+NH4]+ 361.24857 194.2
[M+K]+ 382.17791 188.6
[M-H]- 342.20747 187.6
[M+Na-2H]- 364.18942 188.2
[M]+ 343.21420 186.6
[M]- 343.21530 186.6
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.