CID 5282593

Refchem:1092682

Structural Information

Molecular Formula
C16H21NO3
SMILES
CN1[C@@H]2CC[C@H]1CC(C2)OC(=O)C(C3=CC=CC=C3)O
InChI
InChI=1S/C16H21NO3/c1-17-12-7-8-13(17)10-14(9-12)20-16(19)15(18)11-5-3-2-4-6-11/h2-6,12-15,18H,7-10H2,1H3/t12-,13+,14?,15?
InChIKey
ZTVIKZXZYLEVOL-DGKWVBSXSA-N
Compound name
[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 2-hydroxy-2-phenylacetate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

230
References

12799
Patents

275.15213 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.159406 165.0
[M+Na]+ 298.141348 169.1
[M-H]- 274.144854 167.4
[M+NH4]+ 293.185953 182.0
[M+K]+ 314.115288 166.1
[M+H-H2O]+ 258.149390 157.9
[M+HCOO]- 320.150331 179.2
[M+CH3COO]- 334.165981 196.9
[M+Na-2H]- 296.126796 165.3
[M]+ 275.15158142 162.2
[M]- 275.15267858 162.2
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.