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: 118
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]+	195.065176	137.5
[M+Na]+	217.047118	145.4
[M-H]-	193.050624	142.2
[M+NH4]+	212.091723	154.8
[M+K]+	233.021058	145.9
[M+H-H2O]+	177.055160	131.9
[M+HCOO]-	239.056101	155.4
[M+CH3COO]-	253.071751	180.8
[M+Na-2H]-	215.032566	145.3
[M]+	194.05735142	138.4
[M]-	194.05844858	138.4

Literature stripe

literature stripe

Patent stripe

patents stripe