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

35
Patents

176.08372 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.090996 136.4
[M+Na]+ 199.072938 144.3
[M-H]- 175.076444 141.6
[M+NH4]+ 194.117543 158.2
[M+K]+ 215.046878 143.3
[M+H-H2O]+ 159.080980 131.3
[M+HCOO]- 221.081921 158.3
[M+CH3COO]- 235.097571 180.2
[M+Na-2H]- 197.058386 142.3
[M]+ 176.08317142 137.7
[M]- 176.08426858 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