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

2
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

literature stripe

Patent stripe

patents stripe