CID 3059028

1-propanone, 1-(4-methoxyphenyl)-3-(4-piperidinyl)-, hydrochloride

Structural Information

Molecular Formula
C15H21NO2
SMILES
COC1=CC=C(C=C1)C(=O)CCC2CCNCC2
InChI
InChI=1S/C15H21NO2/c1-18-14-5-3-13(4-6-14)15(17)7-2-12-8-10-16-11-9-12/h3-6,12,16H,2,7-11H2,1H3
InChIKey
PKZBRBBVZZNBEB-UHFFFAOYSA-N
Compound name
1-(4-methoxyphenyl)-3-piperidin-4-ylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

247.15723 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.164506 159.2
[M+Na]+ 270.146448 162.6
[M-H]- 246.149954 161.7
[M+NH4]+ 265.191053 173.8
[M+K]+ 286.120388 159.1
[M+H-H2O]+ 230.154490 150.9
[M+HCOO]- 292.155431 175.7
[M+CH3COO]- 306.171081 191.3
[M+Na-2H]- 268.131896 161.3
[M]+ 247.15668142 154.8
[M]- 247.15777858 154.8
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