CID 218533

Dtxsid40961181

Structural Information

Molecular Formula

C₁₀H₂₀ClNO

SMILES

CCCC(CCC)CNC(=O)CCl

InChI

InChI=1S/C10H20ClNO/c1-3-5-9(6-4-2)8-12-10(13)7-11/h9H,3-8H2,1-2H3,(H,12,13)

InChIKey

HEDPHTJERDKBOZ-UHFFFAOYSA-N

Compound name

2-chloro-N-(2-propylpentyl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 205.12334 Da
Monoisotopic Mass: 3.3
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]+	206.130616	150.2
[M+Na]+	228.112558	155.6
[M-H]-	204.116064	149.8
[M+NH4]+	223.157163	169.9
[M+K]+	244.086498	152.8
[M+H-H2O]+	188.120600	145.7
[M+HCOO]-	250.121541	167.7
[M+CH3COO]-	264.137191	189.9
[M+Na-2H]-	226.098006	152.3
[M]+	205.12279142	153.4
[M]-	205.12388858	153.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.