CID 13098237

65817-04-1

Structural Information

Molecular Formula

C₁₅H₁₆O₂

SMILES

COC1=CC2=C(C=C1)C3=CC(=O)CCC3CC2

InChI

InChI=1S/C15H16O2/c1-17-13-6-7-14-11(8-13)3-2-10-4-5-12(16)9-15(10)14/h6-10H,2-5H2,1H3

InChIKey

PLWAOBDSGAUOMX-UHFFFAOYSA-N

Compound name

7-methoxy-2,9,10,10a-tetrahydro-1H-phenanthren-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 228.11504 Da
Monoisotopic Mass: 2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	229.122316	148.6
[M+Na]+	251.104258	156.1
[M-H]-	227.107764	153.6
[M+NH4]+	246.148863	168.9
[M+K]+	267.078198	152.3
[M+H-H2O]+	211.112300	141.9
[M+HCOO]-	273.113241	167.1
[M+CH3COO]-	287.128891	161.0
[M+Na-2H]-	249.089706	154.9
[M]+	228.11449142	147.0
[M]-	228.11558858	147.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.