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

18
Patents

274.1293 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.13658 161.1
[M+Na]+ 297.11852 167.7
[M-H]- 273.12202 161.6
[M+NH4]+ 292.16312 177.2
[M+K]+ 313.09246 164.0
[M+H-H2O]+ 257.12656 151.2
[M+HCOO]- 319.12750 176.0
[M+CH3COO]- 333.14315 198.7
[M+Na-2H]- 295.10397 164.6
[M]+ 274.12875 152.8
[M]- 274.12985 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