CID 16699

N,n-diethylacetoacetamide

Structural Information

Molecular Formula

C₈H₁₅NO₂

SMILES

CCN(CC)C(=O)CC(=O)C

InChI

InChI=1S/C8H15NO2/c1-4-9(5-2)8(11)6-7(3)10/h4-6H2,1-3H3

InChIKey

NTMXFHGYWJIAAE-UHFFFAOYSA-N

Compound name

N,N-diethyl-3-oxobutanamide

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 1761
Patents: 157.11028 Da
Monoisotopic Mass: 0.3
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]+	158.117556	135.7
[M+Na]+	180.099498	141.7
[M-H]-	156.103004	137.4
[M+NH4]+	175.144103	157.1
[M+K]+	196.073438	142.9
[M+H-H2O]+	140.107540	130.4
[M+HCOO]-	202.108481	159.3
[M+CH3COO]-	216.124131	184.7
[M+Na-2H]-	178.084946	138.7
[M]+	157.10973142	138.4
[M]-	157.11082858	138.4

Literature stripe

literature stripe

Patent stripe

patents stripe