CID 67116

4-ethoxy-3-methoxybenzaldehyde

Structural Information

Molecular Formula
C10H12O3
SMILES
CCOC1=C(C=C(C=C1)C=O)OC
InChI
InChI=1S/C10H12O3/c1-3-13-9-5-4-8(7-11)6-10(9)12-2/h4-7H,3H2,1-2H3
InChIKey
BERFDQAMXIBOHM-UHFFFAOYSA-N
Compound name
4-ethoxy-3-methoxybenzaldehyde
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

2
References

1074
Patents

180.07864 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.085916 135.2
[M+Na]+ 203.067858 144.3
[M-H]- 179.071364 139.4
[M+NH4]+ 198.112463 155.7
[M+K]+ 219.041798 143.2
[M+H-H2O]+ 163.075900 129.5
[M+HCOO]- 225.076841 160.4
[M+CH3COO]- 239.092491 181.8
[M+Na-2H]- 201.053306 141.6
[M]+ 180.07809142 139.9
[M]- 180.07918858 139.9
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

patents stripe