CID 105686

2,4,5-triethoxybenzaldehyde

Structural Information

Molecular Formula

C₁₃H₁₈O₄

SMILES

CCOC1=CC(=C(C=C1C=O)OCC)OCC

InChI

InChI=1S/C13H18O4/c1-4-15-11-8-13(17-6-3)12(16-5-2)7-10(11)9-14/h7-9H,4-6H2,1-3H3

InChIKey

OQEPUQXAJPNVFJ-UHFFFAOYSA-N

Compound name

2,4,5-triethoxybenzaldehyde

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 46
Patents: 238.12051 Da
Monoisotopic Mass: 2.4
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]+	239.12779	152.8
[M+Na]+	261.10973	165.3
[M+NH4]+	256.15433	159.8
[M+K]+	277.08367	158.9
[M-H]-	237.11323	153.9
[M+Na-2H]-	259.09518	158.0
[M]+	238.11996	154.8
[M]-	238.12106	154.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe