CID 5473464

1-(p-methoxyphenyl)-5-piperidino-1-penten-3-one 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]+ 274.18016 166.8
[M+Na]+ 296.16210 170.2
[M-H]- 272.16560 170.4
[M+NH4]+ 291.20670 181.0
[M+K]+ 312.13604 166.4
[M+H-H2O]+ 256.17014 157.9
[M+HCOO]- 318.17108 184.3
[M+CH3COO]- 332.18673 198.4
[M+Na-2H]- 294.14755 168.3
[M]+ 273.17233 164.2
[M]- 273.17343 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.