CID 122156697

3,3-difluoro-9-azabicyclo[3.3.1]nonane hydrochloride

Structural Information

Molecular Formula
C8H13F2N
SMILES
C1CC2CC(CC(C1)N2)(F)F
InChI
InChI=1S/C8H13F2N/c9-8(10)4-6-2-1-3-7(5-8)11-6/h6-7,11H,1-5H2
InChIKey
KOQPGHKFYCIDEC-UHFFFAOYSA-N
Compound name
3,3-difluoro-9-azabicyclo[3.3.1]nonane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

161.10161 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.108886 133.6
[M+Na]+ 184.090828 139.7
[M-H]- 160.094334 130.4
[M+NH4]+ 179.135433 155.7
[M+K]+ 200.064768 136.5
[M+H-H2O]+ 144.098870 126.4
[M+HCOO]- 206.099811 145.9
[M+CH3COO]- 220.115461 144.4
[M+Na-2H]- 182.076276 139.9
[M]+ 161.10106142 123.6
[M]- 161.10215858 123.6
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

patents stripe