CID 59683

Brn 0248676

Structural Information

Molecular Formula

C₁₅H₁₆O₅

SMILES

CCOC(=O)COC1=CC2=C(C=C1)C(=O)C(=C(O2)C)C

InChI

InChI=1S/C15H16O5/c1-4-18-14(16)8-19-11-5-6-12-13(7-11)20-10(3)9(2)15(12)17/h5-7H,4,8H2,1-3H3

InChIKey

MHDFGLTZSKLWQN-UHFFFAOYSA-N

Compound name

ethyl 2-(2,3-dimethyl-4-oxochromen-7-yl)oxyacetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 276.09976 Da
Monoisotopic Mass: 2.5
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]+	277.107036	158.4
[M+Na]+	299.088978	168.5
[M-H]-	275.092484	164.5
[M+NH4]+	294.133583	175.1
[M+K]+	315.062918	167.7
[M+H-H2O]+	259.097020	151.8
[M+HCOO]-	321.097961	180.4
[M+CH3COO]-	335.113611	200.7
[M+Na-2H]-	297.074426	163.8
[M]+	276.09921142	166.7
[M]-	276.10030858	166.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe