CID 68437

Meconin

Structural Information

Molecular Formula

C₁₀H₁₀O₄

SMILES

COC1=C(C2=C(COC2=O)C=C1)OC

InChI

InChI=1S/C10H10O4/c1-12-7-4-3-6-5-14-10(11)8(6)9(7)13-2/h3-4H,5H2,1-2H3

InChIKey

ORFFGRQMMWVHIB-UHFFFAOYSA-N

Compound name

6,7-dimethoxy-3H-2-benzofuran-1-one

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 15
References: 93
Patents: 194.0579 Da
Monoisotopic Mass: 1.3
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]+	195.065176	135.8
[M+Na]+	217.047118	146.1
[M-H]-	193.050624	141.9
[M+NH4]+	212.091723	157.4
[M+K]+	233.021058	146.0
[M+H-H2O]+	177.055160	131.1
[M+HCOO]-	239.056101	159.4
[M+CH3COO]-	253.071751	182.9
[M+Na-2H]-	215.032566	142.4
[M]+	194.05735142	141.1
[M]-	194.05844858	141.1

Literature stripe

literature stripe

Patent stripe

patents stripe