CID 89749

2,2-dichloro-n,n-dimethyl-3-oxobutyramide

Structural Information

Molecular Formula

C₆H₉Cl₂NO₂

SMILES

CC(=O)C(C(=O)N(C)C)(Cl)Cl

InChI

InChI=1S/C6H9Cl2NO2/c1-4(10)6(7,8)5(11)9(2)3/h1-3H3

InChIKey

VZYZILNMQDUERW-UHFFFAOYSA-N

Compound name

2,2-dichloro-N,N-dimethyl-3-oxobutanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 22
Patents: 197.00104 Da
Monoisotopic Mass: 0.8
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]+	198.00832	136.0
[M+Na]+	219.99026	144.4
[M-H]-	195.99376	137.8
[M+NH4]+	215.03486	157.0
[M+K]+	235.96420	142.5
[M+H-H2O]+	179.99830	133.6
[M+HCOO]-	241.99924	149.4
[M+CH3COO]-	256.01489	187.5
[M+Na-2H]-	217.97571	139.9
[M]+	197.00049	140.3
[M]-	197.00159	140.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe