CID 9855829

125224-43-3

Structural Information

Molecular Formula

C₁₂H₁₆FNO

SMILES

C1CNC[C@H]([C@@H]1C2=CC=C(C=C2)F)CO

InChI

InChI=1S/C12H16FNO/c13-11-3-1-9(2-4-11)12-5-6-14-7-10(12)8-15/h1-4,10,12,14-15H,5-8H2/t10-,12-/m0/s1

InChIKey

IBOPBHBOBJYXTD-JQWIXIFHSA-N

Compound name

[(3S,4R)-4-(4-fluorophenyl)piperidin-3-yl]methanol

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 2
References: 116
Patents: 209.1216 Da
Monoisotopic Mass: 1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	210.12888	146.9
[M+Na]+	232.11082	152.3
[M-H]-	208.11432	147.5
[M+NH4]+	227.15542	162.8
[M+K]+	248.08476	147.6
[M+H-H2O]+	192.11886	138.8
[M+HCOO]-	254.11980	162.4
[M+CH3COO]-	268.13545	181.5
[M+Na-2H]-	230.09627	150.0
[M]+	209.12105	138.8
[M]-	209.12215	138.8

Literature stripe

literature stripe

Patent stripe

patents stripe