CID 74847

3,4-diethoxybenzaldehyde

Structural Information

Molecular Formula
C11H14O3
SMILES
CCOC1=C(C=C(C=C1)C=O)OCC
InChI
InChI=1S/C11H14O3/c1-3-13-10-6-5-9(8-12)7-11(10)14-4-2/h5-8H,3-4H2,1-2H3
InChIKey
SSTRYEXQYQGGAS-UHFFFAOYSA-N
Compound name
3,4-diethoxybenzaldehyde
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

611
Patents

194.0943 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.10158 141.1
[M+Na]+ 217.08352 154.1
[M+NH4]+ 212.12812 149.1
[M+K]+ 233.05746 147.4
[M-H]- 193.08702 142.8
[M+Na-2H]- 215.06897 147.5
[M]+ 194.09375 143.4
[M]- 194.09485 143.4
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