CID 14456636

1-(4-chlorobenzoyl)piperidin-4-ol

Structural Information

Molecular Formula

C₁₂H₁₄ClNO₂

SMILES

C1CN(CCC1O)C(=O)C2=CC=C(C=C2)Cl

InChI

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

InChIKey

VEXLZSWFSWYAON-UHFFFAOYSA-N

Compound name

(4-chlorophenyl)-(4-hydroxypiperidin-1-yl)methanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
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	151.3
[M+Na]+	262.060518	158.0
[M-H]-	238.064024	154.7
[M+NH4]+	257.105123	167.6
[M+K]+	278.034458	153.3
[M+H-H2O]+	222.068560	144.7
[M+HCOO]-	284.069501	164.3
[M+CH3COO]-	298.085151	186.6
[M+Na-2H]-	260.045966	154.0
[M]+	239.07075142	148.4
[M]-	239.07184858	148.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe