CID 105056

Win 35428

Structural Information

Molecular Formula
C16H20FNO2
SMILES
CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)C3=CC=C(C=C3)F)C(=O)OC
InChI
InChI=1S/C16H20FNO2/c1-18-12-7-8-14(18)15(16(19)20-2)13(9-12)10-3-5-11(17)6-4-10/h3-6,12-15H,7-9H2,1-2H3/t12-,13+,14+,15-/m0/s1
InChIKey
QUSLQENMLDRCTO-YJNKXOJESA-N
Compound name
methyl (1R,2S,3S,5S)-3-(4-fluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

405
References

938
Patents

277.1478 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.15508 164.8
[M+Na]+ 300.13702 171.7
[M-H]- 276.14052 167.9
[M+NH4]+ 295.18162 183.2
[M+K]+ 316.11096 167.9
[M+H-H2O]+ 260.14506 156.9
[M+HCOO]- 322.14600 180.2
[M+CH3COO]- 336.16165 201.4
[M+Na-2H]- 298.12247 164.5
[M]+ 277.14725 162.7
[M]- 277.14835 162.7
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