CID 289741

2,4,6-triethoxybenzaldehyde

Structural Information

Molecular Formula
C13H18O4
SMILES
CCOC1=CC(=C(C(=C1)OCC)C=O)OCC
InChI
InChI=1S/C13H18O4/c1-4-15-10-7-12(16-5-2)11(9-14)13(8-10)17-6-3/h7-9H,4-6H2,1-3H3
InChIKey
FXNZCYUMRHJSFP-UHFFFAOYSA-N
Compound name
2,4,6-triethoxybenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

134
Patents

238.12051 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.12779 152.8
[M+Na]+ 261.10973 165.3
[M+NH4]+ 256.15433 159.8
[M+K]+ 277.08367 158.9
[M-H]- 237.11323 153.9
[M+Na-2H]- 259.09518 158.0
[M]+ 238.11996 154.8
[M]- 238.12106 154.8
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