CID 5355018

3-(3,4-methylenedioxyphenyl)propenal

Structural Information

Molecular Formula

C₁₀H₈O₃

SMILES

C1OC2=C(O1)C=C(C=C2)/C=C\C=O

InChI

InChI=1S/C10H8O3/c11-5-1-2-8-3-4-9-10(6-8)13-7-12-9/h1-6H,7H2/b2-1-

InChIKey

HZUFMSJUNLSDSZ-UPHRSURJSA-N

Compound name

(Z)-3-(1,3-benzodioxol-5-yl)prop-2-enal

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 105
Patents: 176.04735 Da
Monoisotopic Mass: 2.0
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]+	177.05463	134.1
[M+Na]+	199.03657	146.8
[M+NH4]+	194.08117	142.7
[M+K]+	215.01051	142.7
[M-H]-	175.04007	138.3
[M+Na-2H]-	197.02202	138.6
[M]+	176.04680	137.0
[M]-	176.04790	137.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe