CID 267534

18505-92-5

Structural Information

Molecular Formula

C₁₀H₁₀O₄

SMILES

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

InChI

InChI=1S/C10H10O4/c11-10(12)5-7-6-13-8-3-1-2-4-9(8)14-7/h1-4,7H,5-6H2,(H,11,12)

InChIKey

NPEFMXMRSFIHKN-UHFFFAOYSA-N

Compound name

2-(2,3-dihydro-1,4-benzodioxin-3-yl)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 69
Patents: 194.0579 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]+	195.065176	137.6
[M+Na]+	217.047118	144.5
[M-H]-	193.050624	141.9
[M+NH4]+	212.091723	154.5
[M+K]+	233.021058	145.0
[M+H-H2O]+	177.055160	131.8
[M+HCOO]-	239.056101	155.5
[M+CH3COO]-	253.071751	179.6
[M+Na-2H]-	215.032566	146.0
[M]+	194.05735142	138.0
[M]-	194.05844858	138.0

Literature stripe

literature stripe

Patent stripe

patents stripe