CID 4132411

76395-72-7

Structural Information

Molecular Formula

C₉H₁₆ClNO

SMILES

CCC1CCCCN1C(=O)CCl

InChI

InChI=1S/C9H16ClNO/c1-2-8-5-3-4-6-11(8)9(12)7-10/h8H,2-7H2,1H3

InChIKey

VZNWFNUBOBSJLK-UHFFFAOYSA-N

Compound name

2-chloro-1-(2-ethylpiperidin-1-yl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 189.09204 Da
Monoisotopic Mass: 1.7
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	141.7
[M+Na]+	212.08126	147.8
[M-H]-	188.08476	143.0
[M+NH4]+	207.12586	160.9
[M+K]+	228.05520	145.0
[M+H-H2O]+	172.08930	136.1
[M+HCOO]-	234.09024	155.5
[M+CH3COO]-	248.10589	181.4
[M+Na-2H]-	210.06671	144.6
[M]+	189.09149	140.1
[M]-	189.09259	140.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe