CID 607309

526-34-1

Structural Information

Molecular Formula

C₉H₈O₅

SMILES

COC1=CC(=CC2=C1OCO2)C(=O)O

InChI

InChI=1S/C9H8O5/c1-12-6-2-5(9(10)11)3-7-8(6)14-4-13-7/h2-3H,4H2,1H3,(H,10,11)

InChIKey

AOHAPDDBNAPPIN-UHFFFAOYSA-N

Compound name

7-methoxy-1,3-benzodioxole-5-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 32
Patents: 196.03717 Da
Monoisotopic Mass: 1.2
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]+	197.04445	136.6
[M+Na]+	219.02639	147.8
[M+NH4]+	214.07099	143.9
[M+K]+	235.00033	146.5
[M-H]-	195.02989	139.3
[M+Na-2H]-	217.01184	139.3
[M]+	196.03662	138.7
[M]-	196.03772	138.7

Literature stripe

literature stripe

Patent stripe

patents stripe