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

39
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 145.2
[M+Na]+ 216.09705 150.9
[M-H]- 192.10055 137.9
[M+NH4]+ 211.14165 172.3
[M+K]+ 232.07099 147.4
[M+H-H2O]+ 176.10509 138.8
[M+HCOO]- 238.10603 152.9
[M+CH3COO]- 252.12168 154.7
[M+Na-2H]- 214.08250 156.8
[M]+ 193.10728 139.1
[M]- 193.10838 139.1
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