CID 3064337

1-cyclopropylcarbonyl-4-(3-trifluoromethylphenyl)-4-piperidinol

Structural Information

Molecular Formula
C16H18F3NO2
SMILES
C1CC1C(=O)N2CCC(CC2)(C3=CC(=CC=C3)C(F)(F)F)O
InChI
InChI=1S/C16H18F3NO2/c17-16(18,19)13-3-1-2-12(10-13)15(22)6-8-20(9-7-15)14(21)11-4-5-11/h1-3,10-11,22H,4-9H2
InChIKey
JJPKLOWPYJIKTE-UHFFFAOYSA-N
Compound name
cyclopropyl-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

313.12897 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.13625 179.1
[M+Na]+ 336.11819 187.4
[M+NH4]+ 331.16279 185.3
[M+K]+ 352.09213 182.4
[M-H]- 312.12169 183.8
[M+Na-2H]- 334.10364 185.7
[M]+ 313.12842 182.4
[M]- 313.12952 182.4
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.