CID 427134

56598-98-2

Structural Information

Molecular Formula

C₈H₁₅NO₄

SMILES

CCOC(=O)C(C(=O)OCC)NC

InChI

InChI=1S/C8H15NO4/c1-4-12-7(10)6(9-3)8(11)13-5-2/h6,9H,4-5H2,1-3H3

InChIKey

SLOUPZPBSMXCPG-UHFFFAOYSA-N

Compound name

diethyl 2-(methylamino)propanedioate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 50
Patents: 189.10011 Da
Monoisotopic Mass: 0.6
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]+	190.10739	142.3
[M+Na]+	212.08933	149.3
[M+NH4]+	207.13393	147.5
[M+K]+	228.06327	146.7
[M-H]-	188.09283	139.7
[M+Na-2H]-	210.07478	143.3
[M]+	189.09956	141.9
[M]-	189.10066	141.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe