CID 494938

Nsc638150

Structural Information

Molecular Formula

C₁₇H₁₆O₃

SMILES

CC1=C2C3CC4=CC=CC=C4C3OC2=CC(=C1O)OC

InChI

InChI=1S/C17H16O3/c1-9-15-12-7-10-5-3-4-6-11(10)17(12)20-13(15)8-14(19-2)16(9)18/h3-6,8,12,17-18H,7H2,1-2H3

InChIKey

CBEWDWWXMNBFCB-UHFFFAOYSA-N

Compound name

7-methoxy-9-methyl-9b,10-dihydro-4bH-indeno[1,2-b][1]benzofuran-8-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 268.10995 Da
Monoisotopic Mass: 3.3
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]+	269.117226	159.5
[M+Na]+	291.099168	170.3
[M-H]-	267.102674	166.4
[M+NH4]+	286.143773	181.5
[M+K]+	307.073108	166.6
[M+H-H2O]+	251.107210	155.3
[M+HCOO]-	313.108151	179.0
[M+CH3COO]-	327.123801	173.0
[M+Na-2H]-	289.084616	162.9
[M]+	268.10940142	163.7
[M]-	268.11049858	163.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.