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

4
Patents

263.15213 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.15941 161.2
[M+Na]+ 286.14135 167.1
[M-H]- 262.14485 165.9
[M+NH4]+ 281.18595 176.5
[M+K]+ 302.11529 164.6
[M+H-H2O]+ 246.14939 152.8
[M+HCOO]- 308.15033 180.4
[M+CH3COO]- 322.16598 197.4
[M+Na-2H]- 284.12680 163.7
[M]+ 263.15158 161.6
[M]- 263.15268 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