CID 133065

Beta-pct

Structural Information

Molecular Formula
C21H31NO2
SMILES
CN1C2CCC1C(CC2)OCC(C3CCCC3)(C4=CC=CC=C4)O
InChI
InChI=1S/C21H31NO2/c1-22-18-11-13-19(22)20(14-12-18)24-15-21(23,17-9-5-6-10-17)16-7-3-2-4-8-16/h2-4,7-8,17-20,23H,5-6,9-15H2,1H3
InChIKey
JFAVRSZLHCCUEK-UHFFFAOYSA-N
Compound name
1-cyclopentyl-2-[(8-methyl-8-azabicyclo[3.2.1]octan-2-yl)oxy]-1-phenylethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

3
Patents

329.23547 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.24275 182.9
[M+Na]+ 352.22469 184.6
[M-H]- 328.22819 187.7
[M+NH4]+ 347.26929 199.2
[M+K]+ 368.19863 180.1
[M+H-H2O]+ 312.23273 175.5
[M+HCOO]- 374.23367 194.7
[M+CH3COO]- 388.24932 191.0
[M+Na-2H]- 350.21014 181.1
[M]+ 329.23492 177.4
[M]- 329.23602 177.4
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.