CID 13250360

Chebi:174040

Structural Information

Molecular Formula

C₁₁H₁₂O₄

SMILES

COC1=CC(=CC2=C1OCO2)C(C=C)O

InChI

InChI=1S/C11H12O4/c1-3-8(12)7-4-9(13-2)11-10(5-7)14-6-15-11/h3-5,8,12H,1,6H2,2H3

InChIKey

LCVLPWQYHIJWCD-UHFFFAOYSA-N

Compound name

1-(7-methoxy-1,3-benzodioxol-5-yl)prop-2-en-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 21
Patents: 208.07356 Da
Monoisotopic Mass: 1.7
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]+	209.08084	142.7
[M+Na]+	231.06278	154.1
[M+NH4]+	226.10738	150.3
[M+K]+	247.03672	151.7
[M-H]-	207.06628	145.8
[M+Na-2H]-	229.04823	145.3
[M]+	208.07301	145.0
[M]-	208.07411	145.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe