CID 10987416

63881-51-6

Structural Information

Molecular Formula

C₁₁H₁₀O₄

SMILES

CCOC(=O)C1=COC2=CC=CC=C2O1

InChI

InChI=1S/C11H10O4/c1-2-13-11(12)10-7-14-8-5-3-4-6-9(8)15-10/h3-7H,2H2,1H3

InChIKey

HYAIFRZTFJBMMC-UHFFFAOYSA-N

Compound name

ethyl 1,4-benzodioxine-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 32
Patents: 206.0579 Da
Monoisotopic Mass: 2.1
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]+	207.065176	140.6
[M+Na]+	229.047118	148.7
[M-H]-	205.050624	146.6
[M+NH4]+	224.091723	158.0
[M+K]+	245.021058	149.8
[M+H-H2O]+	189.055160	134.4
[M+HCOO]-	251.056101	161.3
[M+CH3COO]-	265.071751	184.0
[M+Na-2H]-	227.032566	149.9
[M]+	206.05735142	144.6
[M]-	206.05844858	144.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe