CID 88898889

1342299-83-5

Structural Information

Molecular Formula

C₁₁H₁₀O₄

SMILES

COC(=O)C1=CC(=CC2=C1OCC2)C=O

InChI

InChI=1S/C11H10O4/c1-14-11(13)9-5-7(6-12)4-8-2-3-15-10(8)9/h4-6H,2-3H2,1H3

InChIKey

BYENSJMVGYNXKF-UHFFFAOYSA-N

Compound name

methyl 5-formyl-2,3-dihydro-1-benzofuran-7-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 206.0579 Da
Monoisotopic Mass: 1.2
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]+	207.06518	141.5
[M+Na]+	229.04712	153.2
[M+NH4]+	224.09172	149.4
[M+K]+	245.02106	150.1
[M-H]-	205.05062	143.6
[M+Na-2H]-	227.03257	145.2
[M]+	206.05735	143.6
[M]-	206.05845	143.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe