CID 39240662

1018965-84-8

Structural Information

Molecular Formula

C₉H₁₄ClNO₂

SMILES

CC(=O)N1CCC(CC1)C(=O)CCl

InChI

InChI=1S/C9H14ClNO2/c1-7(12)11-4-2-8(3-5-11)9(13)6-10/h8H,2-6H2,1H3

InChIKey

DFHJQUDYTRHOOT-UHFFFAOYSA-N

Compound name

1-(1-acetylpiperidin-4-yl)-2-chloroethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 203.0713 Da
Monoisotopic Mass: 0.5
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]+	204.07858	142.7
[M+Na]+	226.06052	148.8
[M-H]-	202.06402	144.1
[M+NH4]+	221.10512	161.1
[M+K]+	242.03446	146.3
[M+H-H2O]+	186.06856	137.2
[M+HCOO]-	248.06950	156.0
[M+CH3COO]-	262.08515	183.4
[M+Na-2H]-	224.04597	144.5
[M]+	203.07075	141.3
[M]-	203.07185	141.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe