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 160.4
[M+Na]+ 308.12328 168.0
[M-H]- 284.12678 163.7
[M+NH4]+ 303.16788 171.1
[M+K]+ 324.09722 163.7
[M+H-H2O]+ 268.13132 150.5
[M+HCOO]- 330.13226 173.4
[M+CH3COO]- 344.14791 199.0
[M+Na-2H]- 306.10873 163.6
[M]+ 285.13351 154.3
[M]- 285.13461 154.3
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.