CID 94983103

(2s,5r)-2,5-dimethyl-1-(2,2,2-trifluoroethyl)piperazine

Structural Information

Molecular Formula
C8H15F3N2
SMILES
C[C@H]1CN[C@@H](CN1CC(F)(F)F)C
InChI
InChI=1S/C8H15F3N2/c1-6-4-13(5-8(9,10)11)7(2)3-12-6/h6-7,12H,3-5H2,1-2H3/t6-,7+/m1/s1
InChIKey
NLLHLVKHFIWMIW-RQJHMYQMSA-N
Compound name
(2S,5R)-2,5-dimethyl-1-(2,2,2-trifluoroethyl)piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

196.11873 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.12601 143.6
[M+Na]+ 219.10795 150.5
[M-H]- 195.11145 138.7
[M+NH4]+ 214.15255 160.0
[M+K]+ 235.08189 147.5
[M+H-H2O]+ 179.11599 134.8
[M+HCOO]- 241.11693 155.2
[M+CH3COO]- 255.13258 182.4
[M+Na-2H]- 217.09340 146.1
[M]+ 196.11818 134.6
[M]- 196.11928 134.6
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.