CID 11065870

116256-11-2

Structural Information

Molecular Formula
C15H20FNO3
SMILES
COC1CN(CCC1=O)CCCOC2=CC=C(C=C2)F
InChI
InChI=1S/C15H20FNO3/c1-19-15-11-17(9-7-14(15)18)8-2-10-20-13-5-3-12(16)4-6-13/h3-6,15H,2,7-11H2,1H3
InChIKey
HEVIJEFDFFKZPG-UHFFFAOYSA-N
Compound name
1-[3-(4-fluorophenoxy)propyl]-3-methoxypiperidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

281.14273 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.15001 164.3
[M+Na]+ 304.13195 170.3
[M-H]- 280.13545 167.5
[M+NH4]+ 299.17655 178.8
[M+K]+ 320.10589 167.3
[M+H-H2O]+ 264.13999 154.8
[M+HCOO]- 326.14093 182.4
[M+CH3COO]- 340.15658 200.1
[M+Na-2H]- 302.11740 166.1
[M]+ 281.14218 163.6
[M]- 281.14328 163.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe