CID 199916

1-(4-chlorophenyl)-3-(1-piperidinyl)-1-propanone hydrochloride

Structural Information

Molecular Formula
C14H18ClNO
SMILES
C1CCN(CC1)CCC(=O)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C14H18ClNO/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
XTKSQGRNAYNEOE-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)-3-piperidin-1-ylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

4
Patents

251.1077 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.11498 157.3
[M+Na]+ 274.09692 162.5
[M-H]- 250.10042 161.2
[M+NH4]+ 269.14152 173.4
[M+K]+ 290.07086 157.6
[M+H-H2O]+ 234.10496 149.6
[M+HCOO]- 296.10590 170.8
[M+CH3COO]- 310.12155 192.6
[M+Na-2H]- 272.08237 159.9
[M]+ 251.10715 155.1
[M]- 251.10825 155.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe