CID 170584

Sodium ethyl oxalacetate

Structural Information

Molecular Formula

C₆H₈O₅

SMILES

CCOC(=O)C(=O)CC(=O)O

InChI

InChI=1S/C6H8O5/c1-2-11-6(10)4(7)3-5(8)9/h2-3H2,1H3,(H,8,9)

InChIKey

SJYGNUHWEVULGN-UHFFFAOYSA-N

Compound name

4-ethoxy-3,4-dioxobutanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 76
Patents: 160.03717 Da
Monoisotopic Mass: 0.1
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]+	161.04445	131.8
[M+Na]+	183.02639	139.5
[M+NH4]+	178.07099	136.7
[M+K]+	199.00033	137.7
[M-H]-	159.02989	127.8
[M+Na-2H]-	181.01184	132.5
[M]+	160.03662	131.1
[M]-	160.03772	131.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe