CID 132327689

2126162-11-4

Structural Information

Molecular Formula
C9H14F3N
SMILES
C1CC2CC(CC1N2)CC(F)(F)F
InChI
InChI=1S/C9H14F3N/c10-9(11,12)5-6-3-7-1-2-8(4-6)13-7/h6-8,13H,1-5H2
InChIKey
JCVBAOQMNJSKLO-UHFFFAOYSA-N
Compound name
3-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

193.10783 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.11511 141.8
[M+Na]+ 216.09705 148.0
[M-H]- 192.10055 137.2
[M+NH4]+ 211.14165 162.6
[M+K]+ 232.07099 144.3
[M+H-H2O]+ 176.10509 134.2
[M+HCOO]- 238.10603 153.3
[M+CH3COO]- 252.12168 180.5
[M+Na-2H]- 214.08250 145.2
[M]+ 193.10728 132.3
[M]- 193.10838 132.3
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.