CID 3434314

2,5-diethoxybenzaldehyde

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

194.0943 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.10158 139.9
[M+Na]+ 217.08352 148.6
[M-H]- 193.08702 143.9
[M+NH4]+ 212.12812 159.9
[M+K]+ 233.05746 147.2
[M+H-H2O]+ 177.09156 134.0
[M+HCOO]- 239.09250 164.8
[M+CH3COO]- 253.10815 184.8
[M+Na-2H]- 215.06897 145.8
[M]+ 194.09375 145.0
[M]- 194.09485 145.0
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

patents stripe