CID 155148

Racemosin

Structural Information

Molecular Formula

C₁₆H₁₆O₅

SMILES

CC1(C=CC2=C(C3=C(C(=C2O1)OC)OC(=O)C=C3)OC)C

InChI

InChI=1S/C16H16O5/c1-16(2)8-7-10-12(18-3)9-5-6-11(17)20-13(9)15(19-4)14(10)21-16/h5-8H,1-4H3

InChIKey

QZUNAFWZEXJWGD-UHFFFAOYSA-N

Compound name

5,10-dimethoxy-2,2-dimethylpyrano[3,2-g]chromen-8-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 74
Patents: 288.09976 Da
Monoisotopic Mass: 2.8
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	161.0
[M+Na]+	311.088978	172.9
[M-H]-	287.092484	169.1
[M+NH4]+	306.133583	179.0
[M+K]+	327.062918	173.0
[M+H-H2O]+	271.097020	154.1
[M+HCOO]-	333.097961	180.6
[M+CH3COO]-	347.113611	203.6
[M+Na-2H]-	309.074426	170.2
[M]+	288.09921142	169.6
[M]-	288.10030858	169.6

Literature stripe

literature stripe

Patent stripe

patents stripe