CID 70211

Ethyl glyoxylate

Structural Information

Molecular Formula

C₄H₆O₃

SMILES

CCOC(=O)C=O

InChI

InChI=1S/C4H6O3/c1-2-7-4(6)3-5/h3H,2H2,1H3

InChIKey

DBPFRRFGLYGEJI-UHFFFAOYSA-N

Compound name

ethyl 2-oxoacetate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 44
References: 8629
Patents: 102.03169 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]+	103.03897	115.4
[M+Na]+	125.02091	123.9
[M-H]-	101.02441	116.2
[M+NH4]+	120.06551	138.7
[M+K]+	140.99485	124.9
[M+H-H2O]+	85.028950	111.4
[M+HCOO]-	147.02989	140.1
[M+CH3COO]-	161.04554	165.4
[M+Na-2H]-	123.00636	122.5
[M]+	102.03114	118.2
[M]-	102.03224	118.2

Literature stripe

literature stripe

Patent stripe

patents stripe