CID 50989293

4-(4-methoxypiperidin-1-yl)-3-(trifluoromethyl)aniline

Structural Information

Molecular Formula
C13H17F3N2O
SMILES
COC1CCN(CC1)C2=C(C=C(C=C2)N)C(F)(F)F
InChI
InChI=1S/C13H17F3N2O/c1-19-10-4-6-18(7-5-10)12-3-2-9(17)8-11(12)13(14,15)16/h2-3,8,10H,4-7,17H2,1H3
InChIKey
FCWXYJWNGQDTBG-UHFFFAOYSA-N
Compound name
4-(4-methoxypiperidin-1-yl)-3-(trifluoromethyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.1293 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.136576 161.5
[M+Na]+ 297.118518 168.1
[M-H]- 273.122024 162.1
[M+NH4]+ 292.163123 175.9
[M+K]+ 313.092458 164.1
[M+H-H2O]+ 257.126560 151.2
[M+HCOO]- 319.127501 176.4
[M+CH3COO]- 333.143151 200.3
[M+Na-2H]- 295.103966 163.2
[M]+ 274.12875142 153.4
[M]- 274.12984858 153.4
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.