CID 688197

2,4-diethoxy-m-tolualdehyde

Structural Information

Molecular Formula
C12H16O3
SMILES
CCOC1=C(C(=C(C=C1)C=O)OCC)C
InChI
InChI=1S/C12H16O3/c1-4-14-11-7-6-10(8-13)12(9(11)3)15-5-2/h6-8H,4-5H2,1-3H3
InChIKey
NLDIABAZQRPFHD-UHFFFAOYSA-N
Compound name
2,4-diethoxy-3-methylbenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

208.10994 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.117216 143.7
[M+Na]+ 231.099158 152.9
[M-H]- 207.102664 148.0
[M+NH4]+ 226.143763 163.5
[M+K]+ 247.073098 151.4
[M+H-H2O]+ 191.107200 137.9
[M+HCOO]- 253.108141 168.3
[M+CH3COO]- 267.123791 189.1
[M+Na-2H]- 229.084606 148.5
[M]+ 208.10939142 149.6
[M]- 208.11048858 149.6
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