CID 18357169

2-(piperidin-4-yloxy)-5-(trifluoromethyl)pyridine

Structural Information

Molecular Formula
C11H13F3N2O
SMILES
C1CNCCC1OC2=NC=C(C=C2)C(F)(F)F
InChI
InChI=1S/C11H13F3N2O/c12-11(13,14)8-1-2-10(16-7-8)17-9-3-5-15-6-4-9/h1-2,7,9,15H,3-6H2
InChIKey
KUDNJELAUXSOIL-UHFFFAOYSA-N
Compound name
2-piperidin-4-yloxy-5-(trifluoromethyl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

51
Patents

246.09799 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.10527 153.1
[M+Na]+ 269.08721 159.0
[M-H]- 245.09071 150.9
[M+NH4]+ 264.13181 166.5
[M+K]+ 285.06115 154.7
[M+H-H2O]+ 229.09525 142.2
[M+HCOO]- 291.09619 165.3
[M+CH3COO]- 305.11184 187.9
[M+Na-2H]- 267.07266 157.4
[M]+ 246.09744 143.8
[M]- 246.09854 143.8
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

patents stripe