CID 1807193

2-chloro-n-cyclohexyl-n-methylacetamide

Structural Information

Molecular Formula

C₉H₁₆ClNO

SMILES

CN(C1CCCCC1)C(=O)CCl

InChI

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

InChIKey

IDPRDGUWSUCLQM-UHFFFAOYSA-N

Compound name

2-chloro-N-cyclohexyl-N-methylacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 62
Patents: 189.09204 Da
Monoisotopic Mass: 2.2
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	142.4
[M+Na]+	212.08126	146.9
[M-H]-	188.08476	146.2
[M+NH4]+	207.12586	162.9
[M+K]+	228.05520	145.3
[M+H-H2O]+	172.08930	137.1
[M+HCOO]-	234.09024	159.0
[M+CH3COO]-	248.10589	185.9
[M+Na-2H]-	210.06671	145.3
[M]+	189.09149	140.5
[M]-	189.09259	140.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe