CID 3868801

58583-72-5

Structural Information

Molecular Formula
C12H12O3
SMILES
CCOC1=CC=CC2=C1OC(=C2)C(=O)C
InChI
InChI=1S/C12H12O3/c1-3-14-10-6-4-5-9-7-11(8(2)13)15-12(9)10/h4-7H,3H2,1-2H3
InChIKey
VMJVQNUDBMVFAH-UHFFFAOYSA-N
Compound name
1-(7-ethoxy-1-benzofuran-2-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

10
Patents

204.07864 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.085916 141.2
[M+Na]+ 227.067858 151.6
[M-H]- 203.071364 147.4
[M+NH4]+ 222.112463 162.3
[M+K]+ 243.041798 150.6
[M+H-H2O]+ 187.075900 136.0
[M+HCOO]- 249.076841 165.8
[M+CH3COO]- 263.092491 185.8
[M+Na-2H]- 225.053306 147.8
[M]+ 204.07809142 147.6
[M]- 204.07918858 147.6
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