CID 54595820

2,2-dimethyl-1-(2,2,2-trifluoroethyl)piperazine

Structural Information

Molecular Formula
C8H15F3N2
SMILES
CC1(CNCCN1CC(F)(F)F)C
InChI
InChI=1S/C8H15F3N2/c1-7(2)5-12-3-4-13(7)6-8(9,10)11/h12H,3-6H2,1-2H3
InChIKey
YSHOPHVZCRWGNS-UHFFFAOYSA-N
Compound name
2,2-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

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.12601 142.7
[M+Na]+ 219.10795 149.5
[M-H]- 195.11145 137.8
[M+NH4]+ 214.15255 160.8
[M+K]+ 235.08189 147.0
[M+H-H2O]+ 179.11599 134.4
[M+HCOO]- 241.11693 154.3
[M+CH3COO]- 255.13258 180.8
[M+Na-2H]- 217.09340 147.2
[M]+ 196.11818 133.6
[M]- 196.11928 133.6
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.