CID 40541

1-(6-methoxy-2-benzofuranyl)ethanone

Structural Information

Molecular Formula
C11H10O3
SMILES
CC(=O)C1=CC2=C(O1)C=C(C=C2)OC
InChI
InChI=1S/C11H10O3/c1-7(12)10-5-8-3-4-9(13-2)6-11(8)14-10/h3-6H,1-2H3
InChIKey
HRRSGAXMWLEMKX-UHFFFAOYSA-N
Compound name
1-(6-methoxy-1-benzofuran-2-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

190.06299 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.07027 136.2
[M+Na]+ 213.05221 147.1
[M-H]- 189.05571 142.6
[M+NH4]+ 208.09681 158.0
[M+K]+ 229.02615 146.3
[M+H-H2O]+ 173.06025 131.3
[M+HCOO]- 235.06119 161.2
[M+CH3COO]- 249.07684 182.8
[M+Na-2H]- 211.03766 143.4
[M]+ 190.06244 142.3
[M]- 190.06354 142.3
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