CID 1580153

4-butoxy-3-ethoxybenzaldehyde

Structural Information

Molecular Formula
C13H18O3
SMILES
CCCCOC1=C(C=C(C=C1)C=O)OCC
InChI
InChI=1S/C13H18O3/c1-3-5-8-16-12-7-6-11(10-14)9-13(12)15-4-2/h6-7,9-10H,3-5,8H2,1-2H3
InChIKey
GVCSYUPPGUVAPK-UHFFFAOYSA-N
Compound name
4-butoxy-3-ethoxybenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

7
Patents

222.1256 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.13288 150.1
[M+Na]+ 245.11482 162.7
[M+NH4]+ 240.15942 157.7
[M+K]+ 261.08876 155.6
[M-H]- 221.11832 151.8
[M+Na-2H]- 243.10027 156.0
[M]+ 222.12505 152.3
[M]- 222.12615 152.3
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

patents stripe