CID 3849370

2-(4-methoxyphenyl)malondialdehyde

Structural Information

Molecular Formula

C₁₀H₁₀O₃

SMILES

COC1=CC=C(C=C1)C(C=O)C=O

InChI

InChI=1S/C10H10O3/c1-13-10-4-2-8(3-5-10)9(6-11)7-12/h2-7,9H,1H3

InChIKey

SXPCHOYAUFFORX-UHFFFAOYSA-N

Compound name

2-(4-methoxyphenyl)propanedial

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 116
Patents: 178.06299 Da
Monoisotopic Mass: 1.0
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]+	179.07027	136.4
[M+Na]+	201.05221	148.9
[M+NH4]+	196.09681	144.1
[M+K]+	217.02615	143.0
[M-H]-	177.05571	137.6
[M+Na-2H]-	199.03766	142.8
[M]+	178.06244	138.3
[M]-	178.06354	138.3

Literature stripe

literature stripe

Patent stripe

patents stripe