CID 145867429

1-[(4-chlorophenyl)methoxy]piperidin-4-one

Structural Information

Molecular Formula

C₁₂H₁₄ClNO₂

SMILES

C1CN(CCC1=O)OCC2=CC=C(C=C2)Cl

InChI

InChI=1S/C12H14ClNO2/c13-11-3-1-10(2-4-11)9-16-14-7-5-12(15)6-8-14/h1-4H,5-9H2

InChIKey

HIJRDRRJAKMSDP-UHFFFAOYSA-N

Compound name

1-[(4-chlorophenyl)methoxy]piperidin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 239.0713 Da
Monoisotopic Mass: 1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	240.078576	151.0
[M+Na]+	262.060518	158.2
[M-H]-	238.064024	155.6
[M+NH4]+	257.105123	167.9
[M+K]+	278.034458	154.0
[M+H-H2O]+	222.068560	143.7
[M+HCOO]-	284.069501	166.4
[M+CH3COO]-	298.085151	188.9
[M+Na-2H]-	260.045966	155.2
[M]+	239.07075142	150.5
[M]-	239.07184858	150.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.