CID 425079

4-piperidinol, 1-cyclopropyl-4-(alpha,alpha,alpha-trifluoro-m-tolyl)-, hydrochloride

Structural Information

Molecular Formula
C15H18F3NO
SMILES
C1CC1N2CCC(CC2)(C3=CC(=CC=C3)C(F)(F)F)O
InChI
InChI=1S/C15H18F3NO/c16-15(17,18)12-3-1-2-11(10-12)14(20)6-8-19(9-7-14)13-4-5-13/h1-3,10,13,20H,4-9H2
InChIKey
WUQFXBRDQLQNCL-UHFFFAOYSA-N
Compound name
1-cyclopropyl-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.13406 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.14134 172.9
[M+Na]+ 308.12328 182.1
[M+NH4]+ 303.16788 180.1
[M+K]+ 324.09722 176.3
[M-H]- 284.12678 178.5
[M+Na-2H]- 306.10873 180.5
[M]+ 285.13351 176.7
[M]- 285.13461 176.7
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.