CID 3048821

63998-46-9

Structural Information

Molecular Formula
C12H14O2
SMILES
CCC(=O)C1=CC2=C(C=C1)OC(C2)C
InChI
InChI=1S/C12H14O2/c1-3-11(13)9-4-5-12-10(7-9)6-8(2)14-12/h4-5,7-8H,3,6H2,1-2H3
InChIKey
OFIUTXCWENUUHE-UHFFFAOYSA-N
Compound name
1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

190.09938 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.10666 140.7
[M+Na]+ 213.08860 149.1
[M-H]- 189.09210 146.1
[M+NH4]+ 208.13320 162.2
[M+K]+ 229.06254 147.9
[M+H-H2O]+ 173.09664 135.7
[M+HCOO]- 235.09758 162.2
[M+CH3COO]- 249.11323 184.4
[M+Na-2H]- 211.07405 145.3
[M]+ 190.09883 142.7
[M]- 190.09993 142.7
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