CID 41807

60884-41-5

Structural Information

Molecular Formula
C17H23NO2
SMILES
CC1C2(CCCC(C2)N1C)C3=CC(=CC=C3)OC(=O)C
InChI
InChI=1S/C17H23NO2/c1-12-17(9-5-7-15(11-17)18(12)3)14-6-4-8-16(10-14)20-13(2)19/h4,6,8,10,12,15H,5,7,9,11H2,1-3H3
InChIKey
QBMWZOFSEMVRNE-UHFFFAOYSA-N
Compound name
[3-(6,7-dimethyl-6-azabicyclo[3.2.1]octan-1-yl)phenyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

273.17288 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.18016 166.1
[M+Na]+ 296.16210 172.8
[M-H]- 272.16560 170.5
[M+NH4]+ 291.20670 186.6
[M+K]+ 312.13604 169.3
[M+H-H2O]+ 256.17014 159.2
[M+HCOO]- 318.17108 182.4
[M+CH3COO]- 332.18673 200.1
[M+Na-2H]- 294.14755 167.7
[M]+ 273.17233 165.4
[M]- 273.17343 165.4
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.