CID 85615176

4-(trifluoromethyl)bicyclo[2.2.2]octan-1-amine hydrochloride

Structural Information

Molecular Formula
C9H14F3N
SMILES
C1CC2(CCC1(CC2)C(F)(F)F)N
InChI
InChI=1S/C9H14F3N/c10-9(11,12)7-1-4-8(13,5-2-7)6-3-7/h1-6,13H2
InChIKey
FZWZAQABIOOSTK-UHFFFAOYSA-N
Compound name
4-(trifluoromethyl)bicyclo[2.2.2]octan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

193.10783 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.11511 134.3
[M+Na]+ 216.09705 140.0
[M+NH4]+ 211.14165 145.2
[M+K]+ 232.07099 131.6
[M-H]- 192.10055 128.9
[M+Na-2H]- 214.08250 134.5
[M]+ 193.10728 133.5
[M]- 193.10838 133.5
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