CID 78184

4442-53-9

Structural Information

Molecular Formula

C₉H₈O₄

SMILES

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

InChI

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

InChIKey

VCLSWKVAHAJSFL-UHFFFAOYSA-N

Compound name

2,3-dihydro-1,4-benzodioxine-5-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 661
Patents: 180.04225 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]+	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