CID 4666994

2-chloro-n-cyclohexyl-n-ethylpropanamide

Structural Information

Molecular Formula

C₁₁H₂₀ClNO

SMILES

CCN(C1CCCCC1)C(=O)C(C)Cl

InChI

InChI=1S/C11H20ClNO/c1-3-13(11(14)9(2)12)10-7-5-4-6-8-10/h9-10H,3-8H2,1-2H3

InChIKey

ZUNDGFTVHZWUAH-UHFFFAOYSA-N

Compound name

2-chloro-N-cyclohexyl-N-ethylpropanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 217.12334 Da
Monoisotopic Mass: 2.9
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]+	218.130616	151.6
[M+Na]+	240.112558	155.0
[M-H]-	216.116064	155.1
[M+NH4]+	235.157163	170.9
[M+K]+	256.086498	153.3
[M+H-H2O]+	200.120600	146.1
[M+HCOO]-	262.121541	166.5
[M+CH3COO]-	276.137191	192.8
[M+Na-2H]-	238.098006	152.2
[M]+	217.12279142	149.8
[M]-	217.12388858	149.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.