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 150.1
[M+Na]+ 257.11482 162.4
[M-H]- 233.11832 157.0
[M+NH4]+ 252.15942 171.1
[M+K]+ 273.08876 161.1
[M+H-H2O]+ 217.12286 145.2
[M+HCOO]- 279.12380 174.8
[M+CH3COO]- 293.13945 195.5
[M+Na-2H]- 255.10027 154.9
[M]+ 234.12505 159.7
[M]- 234.12615 159.7
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.