CID 10355208

102433-04-5

Structural Information

Molecular Formula
C16H21NO2
SMILES
CC(=O)OC1(C[C@H]2CC[C@@H](C1)N2C)C3=CC=CC=C3
InChI
InChI=1S/C16H21NO2/c1-12(18)19-16(13-6-4-3-5-7-13)10-14-8-9-15(11-16)17(14)2/h3-7,14-15H,8-11H2,1-2H3/t14-,15+,16?
InChIKey
QWPDTHGNPYQOPY-XYPWUTKMSA-N
Compound name
[(1R,5S)-8-methyl-3-phenyl-8-azabicyclo[3.2.1]octan-3-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

259.15723 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.164506 162.1
[M+Na]+ 282.146448 168.2
[M-H]- 258.149954 166.3
[M+NH4]+ 277.191053 182.8
[M+K]+ 298.120388 165.0
[M+H-H2O]+ 242.154490 155.0
[M+HCOO]- 304.155431 178.7
[M+CH3COO]- 318.171081 195.9
[M+Na-2H]- 280.131896 164.8
[M]+ 259.15668142 160.6
[M]- 259.15777858 160.6
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.