CID 43532

61052-37-7

Structural Information

Molecular Formula

C₁₀H₁₀O₅

SMILES

COC1=C(C(=C2COC(=O)C2=C1)OC)O

InChI

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

InChIKey

NUCLOIKHTIHRMG-UHFFFAOYSA-N

Compound name

5-hydroxy-4,6-dimethoxy-3H-2-benzofuran-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 210.05283 Da
Monoisotopic Mass: 0.9
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	138.7
[M+Na]+	233.04205	149.3
[M-H]-	209.04555	143.7
[M+NH4]+	228.08665	159.2
[M+K]+	249.01599	148.9
[M+H-H2O]+	193.05009	134.3
[M+HCOO]-	255.05103	161.0
[M+CH3COO]-	269.06668	183.8
[M+Na-2H]-	231.02750	144.4
[M]+	210.05228	144.1
[M]-	210.05338	144.1

Literature stripe

literature stripe

Patent stripe

patents stripe