CID 74701

617-37-8

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: 4375
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]+	119.033886	119.5
[M+Na]+	141.015828	127.4
[M-H]-	117.019334	119.0
[M+NH4]+	136.060433	141.3
[M+K]+	156.989768	128.4
[M+H-H2O]+	101.023870	115.5
[M+HCOO]-	163.024811	141.9
[M+CH3COO]-	177.040461	164.9
[M+Na-2H]-	139.001276	124.7
[M]+	118.02606142	121.1
[M]-	118.02715858	121.1

Literature stripe

literature stripe

Patent stripe

patents stripe