CID 85553

Ethyl n,n-dimethyloxamate

Structural Information

Molecular Formula

C₆H₁₁NO₃

SMILES

CCOC(=O)C(=O)N(C)C

InChI

InChI=1S/C6H11NO3/c1-4-10-6(9)5(8)7(2)3/h4H2,1-3H3

InChIKey

HMALWDVRMHVUAW-UHFFFAOYSA-N

Compound name

ethyl 2-(dimethylamino)-2-oxoacetate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 74
Patents: 145.0739 Da
Monoisotopic Mass: 0.4
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]+	146.081176	129.4
[M+Na]+	168.063118	136.3
[M-H]-	144.066624	131.5
[M+NH4]+	163.107723	151.3
[M+K]+	184.037058	138.6
[M+H-H2O]+	128.071160	124.4
[M+HCOO]-	190.072101	154.0
[M+CH3COO]-	204.087751	179.3
[M+Na-2H]-	166.048566	133.5
[M]+	145.07335142	132.6
[M]-	145.07444858	132.6

Literature stripe

literature stripe

Patent stripe

patents stripe