CID 10702959

143809-21-6

Structural Information

Molecular Formula

C₁₀H₁₀O₄

SMILES

CC1=C(C=CC2=C1OCCO2)C(=O)O

InChI

InChI=1S/C10H10O4/c1-6-7(10(11)12)2-3-8-9(6)14-5-4-13-8/h2-3H,4-5H2,1H3,(H,11,12)

InChIKey

YBPIZYYGBWSBKO-UHFFFAOYSA-N

Compound name

5-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 129
Patents: 194.0579 Da
Monoisotopic Mass: 1.5
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	137.9
[M+Na]+	217.04712	150.6
[M+NH4]+	212.09172	146.0
[M+K]+	233.02106	146.3
[M-H]-	193.05062	141.9
[M+Na-2H]-	215.03257	141.9
[M]+	194.05735	140.8
[M]-	194.05845	140.8

Literature stripe

literature stripe

Patent stripe

patents stripe