CID 105686

2,4,5-triethoxybenzaldehyde

Structural Information

Molecular Formula
C13H18O4
SMILES
CCOC1=CC(=C(C=C1C=O)OCC)OCC
InChI
InChI=1S/C13H18O4/c1-4-15-11-8-13(17-6-3)12(16-5-2)7-10(11)9-14/h7-9H,4-6H2,1-3H3
InChIKey
OQEPUQXAJPNVFJ-UHFFFAOYSA-N
Compound name
2,4,5-triethoxybenzaldehyde
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

47
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 151.5
[M+Na]+ 261.10973 160.1
[M-H]- 237.11323 155.5
[M+NH4]+ 256.15433 169.9
[M+K]+ 277.08367 158.9
[M+H-H2O]+ 221.11777 145.2
[M+HCOO]- 283.11871 175.8
[M+CH3COO]- 297.13436 194.1
[M+Na-2H]- 259.09518 155.7
[M]+ 238.11996 159.2
[M]- 238.12106 159.2
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