CID 11206347

Methyl 5-hydroxy-2,3-dihydro-1-benzofuran-2-carboxylate

Structural Information

Molecular Formula

C₁₀H₁₀O₄

SMILES

COC(=O)C1CC2=C(O1)C=CC(=C2)O

InChI

InChI=1S/C10H10O4/c1-13-10(12)9-5-6-4-7(11)2-3-8(6)14-9/h2-4,9,11H,5H2,1H3

InChIKey

WQQGWHUQZPKEDL-UHFFFAOYSA-N

Compound name

methyl 5-hydroxy-2,3-dihydro-1-benzofuran-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 194.0579 Da
Monoisotopic Mass: 1.5
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	137.6
[M+Na]+	217.047118	146.4
[M-H]-	193.050624	142.0
[M+NH4]+	212.091723	158.3
[M+K]+	233.021058	145.8
[M+H-H2O]+	177.055160	133.0
[M+HCOO]-	239.056101	158.8
[M+CH3COO]-	253.071751	179.3
[M+Na-2H]-	215.032566	143.2
[M]+	194.05735142	140.0
[M]-	194.05844858	140.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe