CID 75535

1,3,5-triethoxybenzene

Structural Information

Molecular Formula
C12H18O3
SMILES
CCOC1=CC(=CC(=C1)OCC)OCC
InChI
InChI=1S/C12H18O3/c1-4-13-10-7-11(14-5-2)9-12(8-10)15-6-3/h7-9H,4-6H2,1-3H3
InChIKey
CPEDYIVPGWUOGI-UHFFFAOYSA-N
Compound name
1,3,5-triethoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

492
Patents

210.1256 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.13288 146.3
[M+Na]+ 233.11482 159.1
[M+NH4]+ 228.15942 154.4
[M+K]+ 249.08876 152.3
[M-H]- 209.11832 148.3
[M+Na-2H]- 231.10027 152.6
[M]+ 210.12505 148.7
[M]- 210.12615 148.7
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