CID 22615413

1-(2-methoxyphenyl)piperidin-4-one

Structural Information

Molecular Formula
C12H15NO2
SMILES
COC1=CC=CC=C1N2CCC(=O)CC2
InChI
InChI=1S/C12H15NO2/c1-15-12-5-3-2-4-11(12)13-8-6-10(14)7-9-13/h2-5H,6-9H2,1H3
InChIKey
BIDXDLVTUIFALP-UHFFFAOYSA-N
Compound name
1-(2-methoxyphenyl)piperidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

205.11028 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.11756 144.7
[M+Na]+ 228.09950 151.2
[M-H]- 204.10300 149.6
[M+NH4]+ 223.14410 162.2
[M+K]+ 244.07344 148.8
[M+H-H2O]+ 188.10754 136.9
[M+HCOO]- 250.10848 164.8
[M+CH3COO]- 264.12413 185.1
[M+Na-2H]- 226.08495 149.5
[M]+ 205.10973 142.2
[M]- 205.11083 142.2
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