CID 53408871

1219976-75-6

Structural Information

Molecular Formula
C13H17F3N2O
SMILES
C1CCNC(C1)CCOC2=NC=C(C=C2)C(F)(F)F
InChI
InChI=1S/C13H17F3N2O/c14-13(15,16)10-4-5-12(18-9-10)19-8-6-11-3-1-2-7-17-11/h4-5,9,11,17H,1-3,6-8H2
InChIKey
MRIDUPACKNTXRV-UHFFFAOYSA-N
Compound name
2-(2-piperidin-2-ylethoxy)-5-(trifluoromethyl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.1293 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.136576 162.1
[M+Na]+ 297.118518 167.2
[M-H]- 273.122024 159.5
[M+NH4]+ 292.163123 174.3
[M+K]+ 313.092458 162.4
[M+H-H2O]+ 257.126560 150.8
[M+HCOO]- 319.127501 173.6
[M+CH3COO]- 333.143151 193.9
[M+Na-2H]- 295.103966 165.3
[M]+ 274.12875142 153.5
[M]- 274.12984858 153.5
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.