CID 74701

Ethanedioic acid, monoethyl ester

Structural Information

Molecular Formula

C₄H₆O₄

SMILES

CCOC(=O)C(=O)O

InChI

InChI=1S/C4H6O4/c1-2-8-4(7)3(5)6/h2H2,1H3,(H,5,6)

InChIKey

JRMAQQQTXDJDNC-UHFFFAOYSA-N

Compound name

2-ethoxy-2-oxoacetic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 4147
Patents: 118.02661 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]+	119.03389	121.1
[M+Na]+	141.01583	130.1
[M+NH4]+	136.06043	127.4
[M+K]+	156.98977	127.5
[M-H]-	117.01933	118.3
[M+Na-2H]-	139.00128	123.3
[M]+	118.02606	121.1
[M]-	118.02716	121.1

Literature stripe

literature stripe

Patent stripe

patents stripe