CID 3084412

24099-29-4

Structural Information

Molecular Formula

C₁₇H₁₆O₅

SMILES

CC(=CCOC1=C(C2=C(C3=C1OC=C3)OC(=O)C=C2)OC)C

InChI

InChI=1S/C17H16O5/c1-10(2)6-8-21-17-15(19-3)11-4-5-13(18)22-14(11)12-7-9-20-16(12)17/h4-7,9H,8H2,1-3H3

InChIKey

QYROBYWPUVLPTM-UHFFFAOYSA-N

Compound name

5-methoxy-6-(3-methylbut-2-enoxy)furo[2,3-h]chromen-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1
Patents: 300.09976 Da
Monoisotopic Mass: 3.8
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]+	301.107036	165.9
[M+Na]+	323.088978	177.4
[M-H]-	299.092484	174.0
[M+NH4]+	318.133583	183.0
[M+K]+	339.062918	176.3
[M+H-H2O]+	283.097020	160.0
[M+HCOO]-	345.097961	188.1
[M+CH3COO]-	359.113611	204.3
[M+Na-2H]-	321.074426	172.0
[M]+	300.09921142	176.2
[M]-	300.10030858	176.2

Literature stripe

literature stripe

Patent stripe

patents stripe