CID 93792

57764-54-2

Structural Information

Molecular Formula

C₁₀H₁₀O₅

SMILES

CCOC(=O)C(=O)C1=C(C=C(C=C1)O)O

InChI

InChI=1S/C10H10O5/c1-2-15-10(14)9(13)7-4-3-6(11)5-8(7)12/h3-5,11-12H,2H2,1H3

InChIKey

XVSYIVUDNMSUGE-UHFFFAOYSA-N

Compound name

ethyl 2-(2,4-dihydroxyphenyl)-2-oxoacetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
Patents: 210.05283 Da
Monoisotopic Mass: 2.2
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]+	211.06011	143.2
[M+Na]+	233.04205	153.6
[M+NH4]+	228.08665	148.8
[M+K]+	249.01599	150.5
[M-H]-	209.04555	142.1
[M+Na-2H]-	231.02750	146.8
[M]+	210.05228	143.9
[M]-	210.05338	143.9

Literature stripe

literature stripe

Patent stripe

patents stripe