CID 114067404

[3-fluoro-2-(4-methoxypiperidin-1-yl)phenyl]methanol

Structural Information

Molecular Formula
C13H18FNO2
SMILES
COC1CCN(CC1)C2=C(C=CC=C2F)CO
InChI
InChI=1S/C13H18FNO2/c1-17-11-5-7-15(8-6-11)13-10(9-16)3-2-4-12(13)14/h2-4,11,16H,5-9H2,1H3
InChIKey
KKCSGMPGWJGMTB-UHFFFAOYSA-N
Compound name
[3-fluoro-2-(4-methoxypiperidin-1-yl)phenyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.13216 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.13944 154.0
[M+Na]+ 262.12138 160.3
[M-H]- 238.12488 156.2
[M+NH4]+ 257.16598 169.7
[M+K]+ 278.09532 156.9
[M+H-H2O]+ 222.12942 145.4
[M+HCOO]- 284.13036 170.9
[M+CH3COO]- 298.14601 190.3
[M+Na-2H]- 260.10683 156.4
[M]+ 239.13161 150.0
[M]- 239.13271 150.0
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.