CID 2735450

3663-80-7

Structural Information

Molecular Formula

C₉H₈O₄

SMILES

C1C(OC2=CC=CC=C2O1)C(=O)O

InChI

InChI=1S/C9H8O4/c10-9(11)8-5-12-6-3-1-2-4-7(6)13-8/h1-4,8H,5H2,(H,10,11)

InChIKey

HMBHAQMOBKLWRX-UHFFFAOYSA-N

Compound name

2,3-dihydro-1,4-benzodioxine-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 12401
Patents: 180.04225 Da
Monoisotopic Mass: 1.4
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]+	181.04953	133.7
[M+Na]+	203.03147	146.3
[M+NH4]+	198.07607	141.9
[M+K]+	219.00541	142.0
[M-H]-	179.03497	137.7
[M+Na-2H]-	201.01692	138.2
[M]+	180.04170	136.5
[M]-	180.04280	136.5

Literature stripe

literature stripe

Patent stripe

patents stripe