CID 3633284

2-chloro-n-(2-methylcyclohexyl)acetamide

Structural Information

Molecular Formula

C₉H₁₆ClNO

SMILES

CC1CCCCC1NC(=O)CCl

InChI

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

InChIKey

SOESMQGNIBIAOH-UHFFFAOYSA-N

Compound name

2-chloro-N-(2-methylcyclohexyl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 189.09204 Da
Monoisotopic Mass: 2.4
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]+	190.099316	142.4
[M+Na]+	212.081258	147.6
[M-H]-	188.084764	145.0
[M+NH4]+	207.125863	162.5
[M+K]+	228.055198	144.6
[M+H-H2O]+	172.089300	137.6
[M+HCOO]-	234.090241	158.4
[M+CH3COO]-	248.105891	183.5
[M+Na-2H]-	210.066706	145.3
[M]+	189.09149142	139.5
[M]-	189.09258858	139.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.