CID 5706572

203505-84-4

Structural Information

Molecular Formula

C₁₁H₁₀O₃

SMILES

C1COC2=C1C=C(C=C2)/C=C/C(=O)O

InChI

InChI=1S/C11H10O3/c12-11(13)4-2-8-1-3-10-9(7-8)5-6-14-10/h1-4,7H,5-6H2,(H,12,13)/b4-2+

InChIKey

KNKNRFWCOVWKHJ-DUXPYHPUSA-N

Compound name

(E)-3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 118
Patents: 190.06299 Da
Monoisotopic Mass: 1.9
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]+	191.07027	138.9
[M+Na]+	213.05221	146.7
[M-H]-	189.05571	142.8
[M+NH4]+	208.09681	159.4
[M+K]+	229.02615	144.7
[M+H-H2O]+	173.06025	134.0
[M+HCOO]-	235.06119	159.7
[M+CH3COO]-	249.07684	178.2
[M+Na-2H]-	211.03766	144.4
[M]+	190.06244	139.0
[M]-	190.06354	139.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe