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

0
Patents

161.10161 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.10889 133.6
[M+Na]+ 184.09083 139.7
[M-H]- 160.09433 130.4
[M+NH4]+ 179.13543 155.7
[M+K]+ 200.06477 136.5
[M+H-H2O]+ 144.09887 126.4
[M+HCOO]- 206.09981 145.9
[M+CH3COO]- 220.11546 144.4
[M+Na-2H]- 182.07628 139.9
[M]+ 161.10106 123.6
[M]- 161.10216 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

No patent data available for this compound.