CID 165716412

1-benzyl-6-(trifluoromethyl)piperidin-3-ol

Structural Information

Molecular Formula
C13H16F3NO
SMILES
C1CC(N(CC1O)CC2=CC=CC=C2)C(F)(F)F
InChI
InChI=1S/C13H16F3NO/c14-13(15,16)12-7-6-11(18)9-17(12)8-10-4-2-1-3-5-10/h1-5,11-12,18H,6-9H2
InChIKey
NVFBWNQLPAXQTC-UHFFFAOYSA-N
Compound name
1-benzyl-6-(trifluoromethyl)piperidin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.1184 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.12568 162.5
[M+Na]+ 282.10762 171.3
[M+NH4]+ 277.15222 168.0
[M+K]+ 298.08156 165.4
[M-H]- 258.11112 160.7
[M+Na-2H]- 280.09307 166.5
[M]+ 259.11785 162.9
[M]- 259.11895 162.9
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.