CID 123228

3,4-diethoxy-3-cyclobutene-1,2-dione

Structural Information

Molecular Formula

C₈H₁₀O₄

SMILES

CCOC1=C(C(=O)C1=O)OCC

InChI

InChI=1S/C8H10O4/c1-3-11-7-5(9)6(10)8(7)12-4-2/h3-4H2,1-2H3

InChIKey

DFSFLZCLKYZYRD-UHFFFAOYSA-N

Compound name

3,4-diethoxycyclobut-3-ene-1,2-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 19
References: 2410
Patents: 170.0579 Da
Monoisotopic Mass: 0.7
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]+	171.06518	132.0
[M+Na]+	193.04712	139.8
[M+NH4]+	188.09172	135.0
[M+K]+	209.02106	136.9
[M-H]-	169.05062	129.3
[M+Na-2H]-	191.03257	134.4
[M]+	170.05735	131.0
[M]-	170.05845	131.0

Literature stripe

literature stripe

Patent stripe

patents stripe