CID 2928555

Ethyl 4-[5-(trifluoromethyl)pyridin-2-yl]piperazine-1-carboxylate

Structural Information

Molecular Formula
C13H16F3N3O2
SMILES
CCOC(=O)N1CCN(CC1)C2=NC=C(C=C2)C(F)(F)F
InChI
InChI=1S/C13H16F3N3O2/c1-2-21-12(20)19-7-5-18(6-8-19)11-4-3-10(9-17-11)13(14,15)16/h3-4,9H,2,5-8H2,1H3
InChIKey
RVSGECXGLRPPLT-UHFFFAOYSA-N
Compound name
ethyl 4-[5-(trifluoromethyl)pyridin-2-yl]piperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

0
Patents

303.11948 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.12676 169.0
[M+Na]+ 326.10870 175.5
[M-H]- 302.11220 167.0
[M+NH4]+ 321.15330 179.6
[M+K]+ 342.08264 171.9
[M+H-H2O]+ 286.11674 156.9
[M+HCOO]- 348.11768 180.1
[M+CH3COO]- 362.13333 201.1
[M+Na-2H]- 324.09415 170.9
[M]+ 303.11893 163.1
[M]- 303.12003 163.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.