CID 131752973

3-(3-methoxy-4,5-methylenedioxyphenyl)-2-propen-1-ol

Structural Information

Molecular Formula

C₁₁H₁₂O₄

SMILES

COC1=CC(=CC2=C1OCO2)/C=C\CO

InChI

InChI=1S/C11H12O4/c1-13-9-5-8(3-2-4-12)6-10-11(9)15-7-14-10/h2-3,5-6,12H,4,7H2,1H3/b3-2-

InChIKey

QSGMKFMIYYKIKX-IHWYPQMZSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 208.07356 Da
Monoisotopic Mass: 1.5
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]+	209.080836	142.4
[M+Na]+	231.062778	151.1
[M-H]-	207.066284	147.1
[M+NH4]+	226.107383	161.2
[M+K]+	247.036718	150.7
[M+H-H2O]+	191.070820	137.6
[M+HCOO]-	253.071761	163.2
[M+CH3COO]-	267.087411	181.7
[M+Na-2H]-	229.048226	149.3
[M]+	208.07301142	146.3
[M]-	208.07410858	146.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe