CID 120530

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

Structural Information

Molecular Formula
C14H18BrNO
SMILES
C1CCN(CC1)CCC(=O)C2=CC=C(C=C2)Br
InChI
InChI=1S/C14H18BrNO/c15-13-6-4-12(5-7-13)14(17)8-11-16-9-2-1-3-10-16/h4-7H,1-3,8-11H2
InChIKey
DSZCXXAJMFOORJ-UHFFFAOYSA-N
Compound name
1-(4-bromophenyl)-3-piperidin-1-ylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.0572 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.06448 162.2
[M+Na]+ 318.04642 169.6
[M-H]- 294.04992 168.7
[M+NH4]+ 313.09102 179.4
[M+K]+ 334.02036 158.2
[M+H-H2O]+ 278.05446 160.6
[M+HCOO]- 340.05540 178.1
[M+CH3COO]- 354.07105 198.2
[M+Na-2H]- 316.03187 166.2
[M]+ 295.05665 176.9
[M]- 295.05775 176.9
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.