CID 12082972

Methyl 6-hydroxybenzofuran-2-carboxylate

Structural Information

Molecular Formula

C₁₀H₈O₄

SMILES

COC(=O)C1=CC2=C(O1)C=C(C=C2)O

InChI

InChI=1S/C10H8O4/c1-13-10(12)9-4-6-2-3-7(11)5-8(6)14-9/h2-5,11H,1H3

InChIKey

QWFLVOPCTQNVAN-UHFFFAOYSA-N

Compound name

methyl 6-hydroxy-1-benzofuran-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 45
Patents: 192.04225 Da
Monoisotopic Mass: 2.2
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]+	193.04953	135.8
[M+Na]+	215.03147	148.9
[M+NH4]+	210.07607	143.8
[M+K]+	231.00541	146.0
[M-H]-	191.03497	138.1
[M+Na-2H]-	213.01692	141.0
[M]+	192.04170	138.2
[M]-	192.04280	138.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe