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
[(1S,5R)-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]+ 260.16451 162.1
[M+Na]+ 282.14645 168.2
[M-H]- 258.14995 166.3
[M+NH4]+ 277.19105 182.8
[M+K]+ 298.12039 165.0
[M+H-H2O]+ 242.15449 155.0
[M+HCOO]- 304.15543 178.7
[M+CH3COO]- 318.17108 195.9
[M+Na-2H]- 280.13190 164.8
[M]+ 259.15668 160.6
[M]- 259.15778 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.