CID 2286033

3-ethoxy-4-[2-(4-methylphenoxy)ethoxy]benzaldehyde

Structural Information

Molecular Formula
C18H20O4
SMILES
CCOC1=C(C=CC(=C1)C=O)OCCOC2=CC=C(C=C2)C
InChI
InChI=1S/C18H20O4/c1-3-20-18-12-15(13-19)6-9-17(18)22-11-10-21-16-7-4-14(2)5-8-16/h4-9,12-13H,3,10-11H2,1-2H3
InChIKey
XROJOGREHBHXEP-UHFFFAOYSA-N
Compound name
3-ethoxy-4-[2-(4-methylphenoxy)ethoxy]benzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

300.13617 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.143446 169.3
[M+Na]+ 323.125388 176.9
[M-H]- 299.128894 176.0
[M+NH4]+ 318.169993 184.5
[M+K]+ 339.099328 173.9
[M+H-H2O]+ 283.133430 160.9
[M+HCOO]- 345.134371 193.3
[M+CH3COO]- 359.150021 204.8
[M+Na-2H]- 321.110836 173.1
[M]+ 300.13562142 175.9
[M]- 300.13671858 175.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.