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

131
Patents

209.1216 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[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
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.