CID 18919607

8-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octan-3-amine dihydrochloride

Structural Information

Molecular Formula
C9H15F3N2
SMILES
C1CC2CC(CC1N2CC(F)(F)F)N
InChI
InChI=1S/C9H15F3N2/c10-9(11,12)5-14-7-1-2-8(14)4-6(13)3-7/h6-8H,1-5,13H2
InChIKey
FVEGNLPZFSQOKN-UHFFFAOYSA-N
Compound name
8-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octan-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

208.11873 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.12601 144.7
[M+Na]+ 231.10795 151.4
[M-H]- 207.11145 141.3
[M+NH4]+ 226.15255 165.3
[M+K]+ 247.08189 148.2
[M+H-H2O]+ 191.11599 136.8
[M+HCOO]- 253.11693 158.1
[M+CH3COO]- 267.13258 188.4
[M+Na-2H]- 229.09340 147.4
[M]+ 208.11818 135.8
[M]- 208.11928 135.8
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