CID 2423942

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
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]+ 301.14345 169.3
[M+Na]+ 323.12539 176.9
[M-H]- 299.12889 176.0
[M+NH4]+ 318.16999 184.5
[M+K]+ 339.09933 173.9
[M+H-H2O]+ 283.13343 160.9
[M+HCOO]- 345.13437 193.3
[M+CH3COO]- 359.15002 204.8
[M+Na-2H]- 321.11084 173.1
[M]+ 300.13562 175.9
[M]- 300.13672 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.