CID 84489

Ethoxyacetic anhydride

Structural Information

Molecular Formula

C₈H₁₄O₅

SMILES

CCOCC(=O)OC(=O)COCC

InChI

InChI=1S/C8H14O5/c1-3-11-5-7(9)13-8(10)6-12-4-2/h3-6H2,1-2H3

InChIKey

FCOGYPACUCYJOO-UHFFFAOYSA-N

Compound name

(2-ethoxyacetyl) 2-ethoxyacetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 150
Patents: 190.08412 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]+	191.091396	139.9
[M+Na]+	213.073338	146.4
[M-H]-	189.076844	140.0
[M+NH4]+	208.117943	159.5
[M+K]+	229.047278	147.9
[M+H-H2O]+	173.081380	134.6
[M+HCOO]-	235.082321	162.7
[M+CH3COO]-	249.097971	181.7
[M+Na-2H]-	211.058786	143.6
[M]+	190.08357142	146.4
[M]-	190.08466858	146.4

Literature stripe

literature stripe

Patent stripe

patents stripe