CID 20510014

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

Structural Information

Molecular Formula
C12H14O2
SMILES
CC(C)C(=O)C1=CC2=C(C=C1)OCC2
InChI
InChI=1S/C12H14O2/c1-8(2)12(13)10-3-4-11-9(7-10)5-6-14-11/h3-4,7-8H,5-6H2,1-2H3
InChIKey
OTXKCJBBWKDATG-UHFFFAOYSA-N
Compound name
1-(2,3-dihydro-1-benzofuran-5-yl)-2-methylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

190.09938 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.10666 141.7
[M+Na]+ 213.08860 148.9
[M-H]- 189.09210 146.8
[M+NH4]+ 208.13320 162.8
[M+K]+ 229.06254 148.1
[M+H-H2O]+ 173.09664 136.5
[M+HCOO]- 235.09758 162.2
[M+CH3COO]- 249.11323 184.1
[M+Na-2H]- 211.07405 145.7
[M]+ 190.09883 142.6
[M]- 190.09993 142.6
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