CID 10015623

127648-30-0

Structural Information

Molecular Formula
C15H18FNO2
SMILES
COC(=O)[C@@H]1[C@H]2CC[C@H](N2)C[C@@H]1C3=CC=C(C=C3)F
InChI
InChI=1S/C15H18FNO2/c1-19-15(18)14-12(8-11-6-7-13(14)17-11)9-2-4-10(16)5-3-9/h2-5,11-14,17H,6-8H2,1H3/t11-,12+,13+,14-/m0/s1
InChIKey
HQXXRDHSJOKBAP-DGAVXFQQSA-N
Compound name
methyl (1R,2S,3S,5S)-3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octane-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

13
Patents

263.13217 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.13945 161.7
[M+Na]+ 286.12139 171.6
[M+NH4]+ 281.16599 169.4
[M+K]+ 302.09533 167.0
[M-H]- 262.12489 162.0
[M+Na-2H]- 284.10684 163.9
[M]+ 263.13162 162.8
[M]- 263.13272 162.8
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