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 162.3
[M+Na]+ 289.11990 169.4
[M-H]- 265.12340 170.4
[M+NH4]+ 284.16450 180.2
[M+K]+ 305.09384 166.2
[M+H-H2O]+ 249.12794 155.4
[M+HCOO]- 311.12888 183.2
[M+CH3COO]- 325.14453 174.7
[M+Na-2H]- 287.10535 165.7
[M]+ 266.13013 163.7
[M]- 266.13123 163.7
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.