CID 5473464

1-penten-3-one, 1-(p-methoxyphenyl)-5-piperidino-, hydrochloride

Structural Information

Molecular Formula
C17H23NO2
SMILES
COC1=CC=C(C=C1)/C=C/C(=O)CCN2CCCCC2
InChI
InChI=1S/C17H23NO2/c1-20-17-9-6-15(7-10-17)5-8-16(19)11-14-18-12-3-2-4-13-18/h5-10H,2-4,11-14H2,1H3/b8-5+
InChIKey
OBZPTHOMUJZVBC-VMPITWQZSA-N
Compound name
(E)-1-(4-methoxyphenyl)-5-piperidin-1-ylpent-1-en-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.17288 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.180156 166.8
[M+Na]+ 296.162098 170.2
[M-H]- 272.165604 170.4
[M+NH4]+ 291.206703 181.0
[M+K]+ 312.136038 166.4
[M+H-H2O]+ 256.170140 157.9
[M+HCOO]- 318.171081 184.3
[M+CH3COO]- 332.186731 198.4
[M+Na-2H]- 294.147546 168.3
[M]+ 273.17233142 164.2
[M]- 273.17342858 164.2
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.