CID 29737

19672-12-9

Structural Information

Molecular Formula
C14H18O3
SMILES
CCC1=CC(=C2C(=C1OC)C(=C(O2)C)C)OC
InChI
InChI=1S/C14H18O3/c1-6-10-7-11(15-4)14-12(13(10)16-5)8(2)9(3)17-14/h7H,6H2,1-5H3
InChIKey
LDSJJYXJWVKEGX-UHFFFAOYSA-N
Compound name
5-ethyl-4,7-dimethoxy-2,3-dimethyl-1-benzofuran
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.1256 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.13288 150.0
[M+Na]+ 257.11482 164.8
[M+NH4]+ 252.15942 158.7
[M+K]+ 273.08876 160.0
[M-H]- 233.11832 153.8
[M+Na-2H]- 255.10027 155.1
[M]+ 234.12505 153.4
[M]- 234.12615 153.4
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

No patent data available for this compound.