CID 105436109

3-(2,2-difluoroethyl)-8-azabicyclo[3.2.1]octane hydrochloride

Structural Information

Molecular Formula
C9H15F2N
SMILES
C1CC2CC(CC1N2)CC(F)F
InChI
InChI=1S/C9H15F2N/c10-9(11)5-6-3-7-1-2-8(4-6)12-7/h6-9,12H,1-5H2
InChIKey
PUMPEUJAZXZFSW-UHFFFAOYSA-N
Compound name
3-(2,2-difluoroethyl)-8-azabicyclo[3.2.1]octane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

175.11725 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.12453 138.5
[M+Na]+ 198.10647 143.8
[M-H]- 174.10997 135.1
[M+NH4]+ 193.15107 159.9
[M+K]+ 214.08041 140.7
[M+H-H2O]+ 158.11451 131.2
[M+HCOO]- 220.11545 151.7
[M+CH3COO]- 234.13110 178.9
[M+Na-2H]- 196.09192 140.5
[M]+ 175.11670 130.2
[M]- 175.11780 130.2
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.