CID 18034

2931-89-7

Structural Information

Molecular Formula

C₁₀H₁₀O₄

SMILES

CCOC1=CC(=CC(=C1O)C=O)C=O

InChI

InChI=1S/C10H10O4/c1-2-14-9-4-7(5-11)3-8(6-12)10(9)13/h3-6,13H,2H2,1H3

InChIKey

WQWNVPGJVKVZDH-UHFFFAOYSA-N

Compound name

5-ethoxy-4-hydroxybenzene-1,3-dicarbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 41
Patents: 194.0579 Da
Monoisotopic Mass: 1.4
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]+	195.06518	136.7
[M+Na]+	217.04712	146.4
[M-H]-	193.05062	139.8
[M+NH4]+	212.09172	156.1
[M+K]+	233.02106	144.4
[M+H-H2O]+	177.05516	131.3
[M+HCOO]-	239.05610	160.7
[M+CH3COO]-	253.07175	181.7
[M+Na-2H]-	215.03257	142.0
[M]+	194.05735	140.7
[M]-	194.05845	140.7

Literature stripe

literature stripe

Patent stripe

patents stripe