CID 343968

(4-ethoxyphenyl)(oxo)acetaldehyde

Structural Information

Molecular Formula

C₁₀H₁₀O₃

SMILES

CCOC1=CC=C(C=C1)C(=O)C=O

InChI

InChI=1S/C10H10O3/c1-2-13-9-5-3-8(4-6-9)10(12)7-11/h3-7H,2H2,1H3

InChIKey

DHUGUISSXSSEKE-UHFFFAOYSA-N

Compound name

2-(4-ethoxyphenyl)-2-oxoacetaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 178.06299 Da
Monoisotopic Mass: 2.2
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	134.7
[M+Na]+	201.05221	142.9
[M-H]-	177.05571	138.7
[M+NH4]+	196.09681	154.9
[M+K]+	217.02615	141.7
[M+H-H2O]+	161.06025	129.0
[M+HCOO]-	223.06119	159.1
[M+CH3COO]-	237.07684	180.6
[M+Na-2H]-	199.03766	140.6
[M]+	178.06244	137.7
[M]-	178.06354	137.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe