CID 16844

2-chloro-n,n-diethylacetamide

Structural Information

Molecular Formula

C₆H₁₂ClNO

SMILES

CCN(CC)C(=O)CCl

InChI

InChI=1S/C6H12ClNO/c1-3-8(4-2)6(9)5-7/h3-5H2,1-2H3

InChIKey

CQQUWTMMFMJEFE-UHFFFAOYSA-N

Compound name

2-chloro-N,N-diethylacetamide

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 3
References: 6439
Patents: 149.06075 Da
Monoisotopic Mass: 1.1
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]+	150.06803	130.8
[M+Na]+	172.04997	138.2
[M-H]-	148.05347	132.5
[M+NH4]+	167.09457	153.4
[M+K]+	188.02391	137.4
[M+H-H2O]+	132.05801	126.8
[M+HCOO]-	194.05895	151.1
[M+CH3COO]-	208.07460	180.6
[M+Na-2H]-	170.03542	135.6
[M]+	149.06020	134.3
[M]-	149.06130	134.3

Literature stripe

literature stripe

Patent stripe

patents stripe