CID 89328

N-1149 hydrochloride

Structural Information

Molecular Formula
C15H18F3NO
SMILES
CN1C2CCC1CC(C2)OC3=CC=CC(=C3)C(F)(F)F
InChI
InChI=1S/C15H18F3NO/c1-19-11-5-6-12(19)9-14(8-11)20-13-4-2-3-10(7-13)15(16,17)18/h2-4,7,11-12,14H,5-6,8-9H2,1H3
InChIKey
YIVGWFLPGVBUJZ-UHFFFAOYSA-N
Compound name
8-methyl-3-[3-(trifluoromethyl)phenoxy]-8-azabicyclo[3.2.1]octane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.13406 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.14134 165.2
[M+Na]+ 308.12328 172.4
[M-H]- 284.12678 165.6
[M+NH4]+ 303.16788 183.2
[M+K]+ 324.09722 167.8
[M+H-H2O]+ 268.13132 155.8
[M+HCOO]- 330.13226 177.9
[M+CH3COO]- 344.14791 201.0
[M+Na-2H]- 306.10873 166.8
[M]+ 285.13351 159.6
[M]- 285.13461 159.6
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.