CID 302460

2-chloro-n-(3-cyclohexylpropyl)acetamide

Structural Information

Molecular Formula

C₁₁H₂₀ClNO

SMILES

C1CCC(CC1)CCCNC(=O)CCl

InChI

InChI=1S/C11H20ClNO/c12-9-11(14)13-8-4-7-10-5-2-1-3-6-10/h10H,1-9H2,(H,13,14)

InChIKey

OAQDUVRLHXEEDP-UHFFFAOYSA-N

Compound name

2-chloro-N-(3-cyclohexylpropyl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 217.12334 Da
Monoisotopic Mass: 3.6
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]+	218.130616	151.9
[M+Na]+	240.112558	155.3
[M-H]-	216.116064	153.8
[M+NH4]+	235.157163	170.6
[M+K]+	256.086498	151.8
[M+H-H2O]+	200.120600	146.3
[M+HCOO]-	262.121541	167.3
[M+CH3COO]-	276.137191	188.4
[M+Na-2H]-	238.098006	154.4
[M]+	217.12279142	149.4
[M]-	217.12388858	149.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.