CID 69181

613-75-2

Structural Information

Molecular Formula

C₉H₁₀O₅

SMILES

CC(=O)OC(C1=CC=CO1)OC(=O)C

InChI

InChI=1S/C9H10O5/c1-6(10)13-9(14-7(2)11)8-4-3-5-12-8/h3-5,9H,1-2H3

InChIKey

NHOCEIKFQXQFMX-UHFFFAOYSA-N

Compound name

[acetyloxy(furan-2-yl)methyl] acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 198.05283 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]+	199.06011	140.3
[M+Na]+	221.04205	147.4
[M-H]-	197.04555	144.8
[M+NH4]+	216.08665	159.7
[M+K]+	237.01599	149.4
[M+H-H2O]+	181.05009	134.9
[M+HCOO]-	243.05103	163.3
[M+CH3COO]-	257.06668	181.1
[M+Na-2H]-	219.02750	143.7
[M]+	198.05228	145.3
[M]-	198.05338	145.3

Literature stripe

literature stripe

Patent stripe

patents stripe