CID 166062355

4-(4-methoxy-4-(trifluoromethyl)piperidin-1-yl)aniline

Structural Information

Molecular Formula
C13H17F3N2O
SMILES
COC1(CCN(CC1)C2=CC=C(C=C2)N)C(F)(F)F
InChI
InChI=1S/C13H17F3N2O/c1-19-12(13(14,15)16)6-8-18(9-7-12)11-4-2-10(17)3-5-11/h2-5H,6-9,17H2,1H3
InChIKey
LCFYOTYJVHUTGU-UHFFFAOYSA-N
Compound name
4-[4-methoxy-4-(trifluoromethyl)piperidin-1-yl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
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 161.1
[M+Na]+ 297.118518 167.7
[M-H]- 273.122024 161.6
[M+NH4]+ 292.163123 177.2
[M+K]+ 313.092458 164.0
[M+H-H2O]+ 257.126560 151.2
[M+HCOO]- 319.127501 176.0
[M+CH3COO]- 333.143151 198.7
[M+Na-2H]- 295.103966 164.6
[M]+ 274.12875142 152.8
[M]- 274.12984858 152.8
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