CID 13368874

(r)-torosachrysone

Structural Information

Molecular Formula

C₁₆H₁₆O₅

SMILES

C[C@]1(CC2=CC3=CC(=CC(=C3C(=C2C(=O)C1)O)O)OC)O

InChI

InChI=1S/C16H16O5/c1-16(20)6-9-3-8-4-10(21-2)5-11(17)13(8)15(19)14(9)12(18)7-16/h3-5,17,19-20H,6-7H2,1-2H3/t16-/m1/s1

InChIKey

BFMIUBHJKFRWIV-MRXNPFEDSA-N

Compound name

(3R)-3,8,9-trihydroxy-6-methoxy-3-methyl-2,4-dihydroanthracen-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 288.09976 Da
Monoisotopic Mass: 2.3
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]+	289.107036	162.3
[M+Na]+	311.088978	172.4
[M-H]-	287.092484	164.7
[M+NH4]+	306.133583	180.8
[M+K]+	327.062918	168.3
[M+H-H2O]+	271.097020	156.9
[M+HCOO]-	333.097961	177.6
[M+CH3COO]-	347.113611	197.9
[M+Na-2H]-	309.074426	167.3
[M]+	288.09921142	163.3
[M]-	288.10030858	163.3

Literature stripe

literature stripe

Patent stripe

patents stripe