CID 33785386

1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethan-1-one

Structural Information

Molecular Formula
C12H12O3
SMILES
CC1=C(OC2=C1C=C(C=C2)OC)C(=O)C
InChI
InChI=1S/C12H12O3/c1-7-10-6-9(14-3)4-5-11(10)15-12(7)8(2)13/h4-6H,1-3H3
InChIKey
HZHJVKJXTREWKL-UHFFFAOYSA-N
Compound name
1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.07864 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.085916 140.5
[M+Na]+ 227.067858 151.8
[M-H]- 203.071364 147.1
[M+NH4]+ 222.112463 162.0
[M+K]+ 243.041798 150.8
[M+H-H2O]+ 187.075900 135.6
[M+HCOO]- 249.076841 165.1
[M+CH3COO]- 263.092491 187.0
[M+Na-2H]- 225.053306 146.5
[M]+ 204.07809142 147.3
[M]- 204.07918858 147.3
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.