CID 197364

2-methyl-5-(3-phenylpropionyl)-1-benzoxolane

Structural Information

Molecular Formula
C18H18O2
SMILES
CC1CC2=C(O1)C=CC(=C2)C(=O)CCC3=CC=CC=C3
InChI
InChI=1S/C18H18O2/c1-13-11-16-12-15(8-10-18(16)20-13)17(19)9-7-14-5-3-2-4-6-14/h2-6,8,10,12-13H,7,9,11H2,1H3
InChIKey
BIDJZAWEWJHSNW-UHFFFAOYSA-N
Compound name
1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-3-phenylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

266.13068 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.13796 161.8
[M+Na]+ 289.11990 175.9
[M+NH4]+ 284.16450 171.2
[M+K]+ 305.09384 169.7
[M-H]- 265.12340 167.9
[M+Na-2H]- 287.10535 168.8
[M]+ 266.13013 165.7
[M]- 266.13123 165.7
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

No patent data available for this compound.