CID 201009

3087-01-2

Structural Information

Molecular Formula
C16H21NO2
SMILES
CN1C2CCC1CC(C2)OC(=O)CC3=CC=CC=C3
InChI
InChI=1S/C16H21NO2/c1-17-13-7-8-14(17)11-15(10-13)19-16(18)9-12-5-3-2-4-6-12/h2-6,13-15H,7-11H2,1H3
InChIKey
DCINQANYMBYYCH-UHFFFAOYSA-N
Compound name
(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-phenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

7
Patents

259.15723 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.16451 161.6
[M+Na]+ 282.14645 172.6
[M+NH4]+ 277.19105 170.5
[M+K]+ 298.12039 167.3
[M-H]- 258.14995 164.1
[M+Na-2H]- 280.13190 165.4
[M]+ 259.15668 163.7
[M]- 259.15778 163.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe