CID 53408778

2287339-76-6

Structural Information

Molecular Formula
C12H15F3N2O
SMILES
C1CNCCC1COC2=NC=C(C=C2)C(F)(F)F
InChI
InChI=1S/C12H15F3N2O/c13-12(14,15)10-1-2-11(17-7-10)18-8-9-3-5-16-6-4-9/h1-2,7,9,16H,3-6,8H2
InChIKey
JJUNIYFKGAHIGE-UHFFFAOYSA-N
Compound name
2-(piperidin-4-ylmethoxy)-5-(trifluoromethyl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

260.11365 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.12093 157.6
[M+Na]+ 283.10287 163.1
[M-H]- 259.10637 155.2
[M+NH4]+ 278.14747 170.4
[M+K]+ 299.07681 158.6
[M+H-H2O]+ 243.11091 146.5
[M+HCOO]- 305.11185 169.5
[M+CH3COO]- 319.12750 190.9
[M+Na-2H]- 281.08832 161.4
[M]+ 260.11310 148.6
[M]- 260.11420 148.6
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

patents stripe