CID 4048767

4593-19-5

Structural Information

Molecular Formula

C₈H₁₄ClNO

SMILES

CC1CCCN(C1)C(=O)CCl

InChI

InChI=1S/C8H14ClNO/c1-7-3-2-4-10(6-7)8(11)5-9/h7H,2-6H2,1H3

InChIKey

JTARIAOLGBOKJF-UHFFFAOYSA-N

Compound name

2-chloro-1-(3-methylpiperidin-1-yl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 7
References: 67
Patents: 175.07639 Da
Monoisotopic Mass: 1.6
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]+	176.08367	136.4
[M+Na]+	198.06561	148.0
[M+NH4]+	193.11021	145.1
[M+K]+	214.03955	141.6
[M-H]-	174.06911	137.6
[M+Na-2H]-	196.05106	141.2
[M]+	175.07584	138.5
[M]-	175.07694	138.5

Literature stripe

literature stripe

Patent stripe

patents stripe