CID 199010

4-piperidone, 1-(3,4-dimethoxyphenethyl)-

Structural Information

Molecular Formula
C15H21NO3
SMILES
COC1=C(C=C(C=C1)CCN2CCC(=O)CC2)OC
InChI
InChI=1S/C15H21NO3/c1-18-14-4-3-12(11-15(14)19-2)5-8-16-9-6-13(17)7-10-16/h3-4,11H,5-10H2,1-2H3
InChIKey
UANQOYWHAIDBHZ-UHFFFAOYSA-N
Compound name
1-[2-(3,4-dimethoxyphenyl)ethyl]piperidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

263.15213 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.159406 161.2
[M+Na]+ 286.141348 167.1
[M-H]- 262.144854 165.9
[M+NH4]+ 281.185953 176.5
[M+K]+ 302.115288 164.6
[M+H-H2O]+ 246.149390 152.8
[M+HCOO]- 308.150331 180.4
[M+CH3COO]- 322.165981 197.4
[M+Na-2H]- 284.126796 163.7
[M]+ 263.15158142 161.6
[M]- 263.15267858 161.6
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

patents stripe