CID 204160

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

Structural Information

Molecular Formula
C14H18ClNO
SMILES
CCC(=O)C1(CCNCC1)C2=CC(=CC=C2)Cl
InChI
InChI=1S/C14H18ClNO/c1-2-13(17)14(6-8-16-9-7-14)11-4-3-5-12(15)10-11/h3-5,10,16H,2,6-9H2,1H3
InChIKey
QECKKRFDIZXXEG-UHFFFAOYSA-N
Compound name
1-[4-(3-chlorophenyl)piperidin-4-yl]propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

251.1077 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.11498 157.2
[M+Na]+ 274.09692 162.9
[M-H]- 250.10042 160.1
[M+NH4]+ 269.14152 174.6
[M+K]+ 290.07086 157.5
[M+H-H2O]+ 234.10496 150.6
[M+HCOO]- 296.10590 169.3
[M+CH3COO]- 310.12155 189.5
[M+Na-2H]- 272.08237 160.5
[M]+ 251.10715 153.4
[M]- 251.10825 153.4
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