CID 18382376

274910-20-2

Structural Information

Molecular Formula

C₁₀H₁₀O₄

SMILES

C1COC2=C(C=CC=C2O1)CC(=O)O

InChI

InChI=1S/C10H10O4/c11-9(12)6-7-2-1-3-8-10(7)14-5-4-13-8/h1-3H,4-6H2,(H,11,12)

InChIKey

DMEIBRDMHJJSKZ-UHFFFAOYSA-N

Compound name

2-(2,3-dihydro-1,4-benzodioxin-5-yl)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 22
Patents: 194.0579 Da
Monoisotopic Mass: 1.1
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]+	195.06518	138.3
[M+Na]+	217.04712	150.6
[M+NH4]+	212.09172	146.4
[M+K]+	233.02106	146.1
[M-H]-	193.05062	142.3
[M+Na-2H]-	215.03257	142.5
[M]+	194.05735	141.1
[M]-	194.05845	141.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe