CID 24711841

2-chloro-n-(4-methylcyclohexyl)propanamide

Structural Information

Molecular Formula

C₁₀H₁₈ClNO

SMILES

CC1CCC(CC1)NC(=O)C(C)Cl

InChI

InChI=1S/C10H18ClNO/c1-7-3-5-9(6-4-7)12-10(13)8(2)11/h7-9H,3-6H2,1-2H3,(H,12,13)

InChIKey

LLZCJQSORRHCSU-UHFFFAOYSA-N

Compound name

2-chloro-N-(4-methylcyclohexyl)propanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 203.1077 Da
Monoisotopic Mass: 2.6
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]+	204.114976	146.9
[M+Na]+	226.096918	151.5
[M-H]-	202.100424	149.5
[M+NH4]+	221.141523	166.5
[M+K]+	242.070858	148.8
[M+H-H2O]+	186.104960	142.1
[M+HCOO]-	248.105901	161.7
[M+CH3COO]-	262.121551	187.4
[M+Na-2H]-	224.082366	148.2
[M]+	203.10715142	143.9
[M]-	203.10824858	143.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.