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

40
Patents

238.12051 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.127786 151.5
[M+Na]+ 261.109728 160.1
[M-H]- 237.113234 155.5
[M+NH4]+ 256.154333 169.9
[M+K]+ 277.083668 158.9
[M+H-H2O]+ 221.117770 145.2
[M+HCOO]- 283.118711 175.8
[M+CH3COO]- 297.134361 194.1
[M+Na-2H]- 259.095176 155.7
[M]+ 238.11996142 159.2
[M]- 238.12105858 159.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe