CID 45792290

1-[3-(2,2,2-trifluoroethoxy)propyl]piperazine

Structural Information

Molecular Formula
C9H17F3N2O
SMILES
C1CN(CCN1)CCCOCC(F)(F)F
InChI
InChI=1S/C9H17F3N2O/c10-9(11,12)8-15-7-1-4-14-5-2-13-3-6-14/h13H,1-8H2
InChIKey
ILEHMOSNWBSNBQ-UHFFFAOYSA-N
Compound name
1-[3-(2,2,2-trifluoroethoxy)propyl]piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.1293 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.13658 151.0
[M+Na]+ 249.11852 155.4
[M-H]- 225.12202 145.0
[M+NH4]+ 244.16312 165.4
[M+K]+ 265.09246 152.7
[M+H-H2O]+ 209.12656 141.1
[M+HCOO]- 271.12750 162.4
[M+CH3COO]- 285.14315 185.1
[M+Na-2H]- 247.10397 154.5
[M]+ 226.12875 143.0
[M]- 226.12985 143.0
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.