CID 28910072

1-(5-ethyl-1-benzofuran-2-yl)ethan-1-one

Structural Information

Molecular Formula
C12H12O2
SMILES
CCC1=CC2=C(C=C1)OC(=C2)C(=O)C
InChI
InChI=1S/C12H12O2/c1-3-9-4-5-11-10(6-9)7-12(14-11)8(2)13/h4-7H,3H2,1-2H3
InChIKey
ZTQLIWJTNUYYNC-UHFFFAOYSA-N
Compound name
1-(5-ethyl-1-benzofuran-2-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

188.08372 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.09100 137.7
[M+Na]+ 211.07294 152.0
[M+NH4]+ 206.11754 147.0
[M+K]+ 227.04688 147.2
[M-H]- 187.07644 141.5
[M+Na-2H]- 209.05839 144.0
[M]+ 188.08317 140.9
[M]- 188.08427 140.9
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.