CID 4067388

1-(2,3-dihydro-1-benzofuran-5-yl)propan-1-one

Structural Information

Molecular Formula
C11H12O2
SMILES
CCC(=O)C1=CC2=C(C=C1)OCC2
InChI
InChI=1S/C11H12O2/c1-2-10(12)8-3-4-11-9(7-8)5-6-13-11/h3-4,7H,2,5-6H2,1H3
InChIKey
QYYIGDKFUBVDDO-UHFFFAOYSA-N
Compound name
1-(2,3-dihydro-1-benzofuran-5-yl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

176.08372 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.09100 136.4
[M+Na]+ 199.07294 144.3
[M-H]- 175.07644 141.6
[M+NH4]+ 194.11754 158.2
[M+K]+ 215.04688 143.3
[M+H-H2O]+ 159.08098 131.3
[M+HCOO]- 221.08192 158.3
[M+CH3COO]- 235.09757 180.2
[M+Na-2H]- 197.05839 142.3
[M]+ 176.08317 137.7
[M]- 176.08427 137.7
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

patents stripe