CID 129320555

2101567-95-5

Structural Information

Molecular Formula
C8H13F2NO
SMILES
C1C[C@H]2CC(C[C@@H]1N2)OC(F)F
InChI
InChI=1S/C8H13F2NO/c9-8(10)12-7-3-5-1-2-6(4-7)11-5/h5-8,11H,1-4H2/t5-,6+,7?
InChIKey
DDUUZGMDYMAWRO-MEKDEQNOSA-N
Compound name
(1R,5S)-3-(difluoromethoxy)-8-azabicyclo[3.2.1]octane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

177.09653 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.10381 138.5
[M+Na]+ 200.08575 145.4
[M+NH4]+ 195.13035 145.8
[M+K]+ 216.05969 142.1
[M-H]- 176.08925 135.2
[M+Na-2H]- 198.07120 138.6
[M]+ 177.09598 138.0
[M]- 177.09708 138.0
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.