CID 511358

Gosferol

Structural Information

Molecular Formula

C₁₆H₁₄O₅

SMILES

CC(=C)C(COC1=C2C=CC(=O)OC2=CC3=C1C=CO3)O

InChI

InChI=1S/C16H14O5/c1-9(2)12(17)8-20-16-10-3-4-15(18)21-14(10)7-13-11(16)5-6-19-13/h3-7,12,17H,1,8H2,2H3

InChIKey

BVMOMQJYQYBMKL-UHFFFAOYSA-N

Compound name

4-(2-hydroxy-3-methylbut-3-enoxy)furo[3,2-g]chromen-7-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 14
Patents: 286.08414 Da
Monoisotopic Mass: 2.9
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]+	287.09142	161.6
[M+Na]+	309.07336	171.7
[M-H]-	285.07686	168.1
[M+NH4]+	304.11796	178.1
[M+K]+	325.04730	170.5
[M+H-H2O]+	269.08140	156.0
[M+HCOO]-	331.08234	181.6
[M+CH3COO]-	345.09799	199.3
[M+Na-2H]-	307.05881	167.3
[M]+	286.08359	168.9
[M]-	286.08469	168.9

Literature stripe

literature stripe

Patent stripe

patents stripe