CID 3052048

(1r-(exo,exo))-8-methyl-2-phenyl-8-azabicyclo(3.2.1)octane-3-carboxylic acid methyl ester

Structural Information

Molecular Formula
C16H21NO2
SMILES
CN1[C@@H]2CCC1CC(C2C3=CC=CC=C3)C(=O)OC
InChI
InChI=1S/C16H21NO2/c1-17-12-8-9-14(17)15(11-6-4-3-5-7-11)13(10-12)16(18)19-2/h3-7,12-15H,8-10H2,1-2H3/t12?,13?,14-,15?/m1/s1
InChIKey
KCKMEVZULURHST-MIGSVPMKSA-N
Compound name
methyl (1R)-8-methyl-2-phenyl-8-azabicyclo[3.2.1]octane-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 161.7
[M+Na]+ 282.146448 167.7
[M-H]- 258.149954 165.9
[M+NH4]+ 277.191053 180.7
[M+K]+ 298.120388 164.3
[M+H-H2O]+ 242.154490 154.6
[M+HCOO]- 304.155431 178.3
[M+CH3COO]- 318.171081 197.6
[M+Na-2H]- 280.131896 162.7
[M]+ 259.15668142 160.3
[M]- 259.15777858 160.3
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.