CID 10682241

6-(benzyloxy)-3,4-dihydronaphthalen-1(2h)-one

Structural Information

Molecular Formula
C17H16O2
SMILES
C1CC2=C(C=CC(=C2)OCC3=CC=CC=C3)C(=O)C1
InChI
InChI=1S/C17H16O2/c18-17-8-4-7-14-11-15(9-10-16(14)17)19-12-13-5-2-1-3-6-13/h1-3,5-6,9-11H,4,7-8,12H2
InChIKey
SAYPPJQQGVXKAP-UHFFFAOYSA-N
Compound name
6-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

253
Patents

252.11504 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.12232 157.4
[M+Na]+ 275.10426 172.9
[M+NH4]+ 270.14886 167.4
[M+K]+ 291.07820 163.5
[M-H]- 251.10776 163.2
[M+Na-2H]- 273.08971 166.7
[M]+ 252.11449 161.4
[M]- 252.11559 161.4
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