CID 3029623

67873-27-2

Structural Information

Molecular Formula

C₉H₁₄O₆

SMILES

CCOC(=O)C(C(=O)C(=O)OCC)OC

InChI

InChI=1S/C9H14O6/c1-4-14-8(11)6(10)7(13-3)9(12)15-5-2/h7H,4-5H2,1-3H3

InChIKey

XDJKITMFBNRHKX-UHFFFAOYSA-N

Compound name

diethyl 2-methoxy-3-oxobutanedioate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 41
Patents: 218.07904 Da
Monoisotopic Mass: 0.7
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]+	219.08632	145.0
[M+Na]+	241.06826	151.0
[M-H]-	217.07176	145.1
[M+NH4]+	236.11286	163.2
[M+K]+	257.04220	153.0
[M+H-H2O]+	201.07630	139.7
[M+HCOO]-	263.07724	166.0
[M+CH3COO]-	277.09289	187.7
[M+Na-2H]-	239.05371	146.0
[M]+	218.07849	151.5
[M]-	218.07959	151.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe