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]+ 205.08592 140.5
[M+Na]+ 227.06786 151.8
[M-H]- 203.07136 147.1
[M+NH4]+ 222.11246 162.0
[M+K]+ 243.04180 150.8
[M+H-H2O]+ 187.07590 135.6
[M+HCOO]- 249.07684 165.1
[M+CH3COO]- 263.09249 187.0
[M+Na-2H]- 225.05331 146.5
[M]+ 204.07809 147.3
[M]- 204.07919 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.