CID 24812587

1803591-79-8

Structural Information

Molecular Formula

C₁₀H₁₀O₄

SMILES

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

InChI

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

InChIKey

PNDFXHIWFFMOFN-UHFFFAOYSA-N

Compound name

methyl 6-hydroxy-2,3-dihydro-1-benzofuran-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
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]+	195.06518	137.6
[M+Na]+	217.04712	146.4
[M-H]-	193.05062	142.0
[M+NH4]+	212.09172	158.3
[M+K]+	233.02106	145.8
[M+H-H2O]+	177.05516	133.0
[M+HCOO]-	239.05610	158.8
[M+CH3COO]-	253.07175	179.3
[M+Na-2H]-	215.03257	143.2
[M]+	194.05735	140.0
[M]-	194.05845	140.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe