CID 20303626

261913-24-0

Structural Information

Molecular Formula

C₁₁H₁₀O₃

SMILES

C1COC2=C(O1)C=CC(=C2)/C=C/C=O

InChI

InChI=1S/C11H10O3/c12-5-1-2-9-3-4-10-11(8-9)14-7-6-13-10/h1-5,8H,6-7H2/b2-1+

InChIKey

QLMGOPJBUUNBHB-OWOJBTEDSA-N

Compound name

(E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enal

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
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	137.2
[M+Na]+	213.05221	144.9
[M-H]-	189.05571	142.7
[M+NH4]+	208.09681	155.2
[M+K]+	229.02615	144.5
[M+H-H2O]+	173.06025	131.2
[M+HCOO]-	235.06119	157.4
[M+CH3COO]-	249.07684	180.6
[M+Na-2H]-	211.03766	146.8
[M]+	190.06244	138.2
[M]-	190.06354	138.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe