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]+ 176.124526 138.5
[M+Na]+ 198.106468 143.8
[M-H]- 174.109974 135.1
[M+NH4]+ 193.151073 159.9
[M+K]+ 214.080408 140.7
[M+H-H2O]+ 158.114510 131.2
[M+HCOO]- 220.115451 151.7
[M+CH3COO]- 234.131101 178.9
[M+Na-2H]- 196.091916 140.5
[M]+ 175.11670142 130.2
[M]- 175.11779858 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.