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]+ 178.103806 136.7
[M+Na]+ 200.085748 142.4
[M-H]- 176.089254 133.4
[M+NH4]+ 195.130353 158.0
[M+K]+ 216.059688 139.9
[M+H-H2O]+ 160.093790 129.5
[M+HCOO]- 222.094731 150.4
[M+CH3COO]- 236.110381 177.8
[M+Na-2H]- 198.071196 139.4
[M]+ 177.09598142 129.4
[M]- 177.09707858 129.4
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.