CID 3164939

106690-34-0

Structural Information

Molecular Formula

C₁₀H₁₀O₅

SMILES

CC(C(=O)O)OC1=CC2=C(C=C1)OCO2

InChI

InChI=1S/C10H10O5/c1-6(10(11)12)15-7-2-3-8-9(4-7)14-5-13-8/h2-4,6H,5H2,1H3,(H,11,12)

InChIKey

FXTIYEKZZYPBFW-UHFFFAOYSA-N

Compound name

2-(1,3-benzodioxol-5-yloxy)propanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 210.05283 Da
Monoisotopic Mass: 1.6
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]+	211.06011	141.4
[M+Na]+	233.04205	148.8
[M-H]-	209.04555	146.0
[M+NH4]+	228.08665	159.5
[M+K]+	249.01599	150.2
[M+H-H2O]+	193.05009	136.5
[M+HCOO]-	255.05103	160.7
[M+CH3COO]-	269.06668	182.2
[M+Na-2H]-	231.02750	147.2
[M]+	210.05228	144.9
[M]-	210.05338	144.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe