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]+ 248.16451 159.2
[M+Na]+ 270.14645 162.6
[M-H]- 246.14995 161.7
[M+NH4]+ 265.19105 173.8
[M+K]+ 286.12039 159.1
[M+H-H2O]+ 230.15449 150.9
[M+HCOO]- 292.15543 175.7
[M+CH3COO]- 306.17108 191.3
[M+Na-2H]- 268.13190 161.3
[M]+ 247.15668 154.8
[M]- 247.15778 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