CID 4463149

33681-23-1

Structural Information

Molecular Formula

C₉H₁₆ClNO

SMILES

CC1CCCC(N1C(=O)CCl)C

InChI

InChI=1S/C9H16ClNO/c1-7-4-3-5-8(2)11(7)9(12)6-10/h7-8H,3-6H2,1-2H3

InChIKey

ALKATUXKHCBMPD-UHFFFAOYSA-N

Compound name

2-chloro-1-(2,6-dimethylpiperidin-1-yl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 26
Patents: 189.09204 Da
Monoisotopic Mass: 2.1
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]+	190.09932	140.4
[M+Na]+	212.08126	152.3
[M+NH4]+	207.12586	149.0
[M+K]+	228.05520	145.8
[M-H]-	188.08476	141.6
[M+Na-2H]-	210.06671	144.8
[M]+	189.09149	142.6
[M]-	189.09259	142.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe