CID 50988963

2-chloro-n-(cyclohexylmethyl)-n-methylacetamide

Structural Information

Molecular Formula

C₁₀H₁₈ClNO

SMILES

CN(CC1CCCCC1)C(=O)CCl

InChI

InChI=1S/C10H18ClNO/c1-12(10(13)7-11)8-9-5-3-2-4-6-9/h9H,2-8H2,1H3

InChIKey

KFSDXOJJSMRMKQ-UHFFFAOYSA-N

Compound name

2-chloro-N-(cyclohexylmethyl)-N-methylacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 203.1077 Da
Monoisotopic Mass: 2.7
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]+	204.11498	147.1
[M+Na]+	226.09692	151.1
[M-H]-	202.10042	150.7
[M+NH4]+	221.14152	167.0
[M+K]+	242.07086	149.3
[M+H-H2O]+	186.10496	141.6
[M+HCOO]-	248.10590	163.4
[M+CH3COO]-	262.12155	188.9
[M+Na-2H]-	224.08237	149.5
[M]+	203.10715	145.5
[M]-	203.10825	145.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe