CID 23513103

176431-77-9

Structural Information

Molecular Formula

C₁₁H₁₂O₃

SMILES

CCOC1=CC2=C(C=C1)OCCC2=O

InChI

InChI=1S/C11H12O3/c1-2-13-8-3-4-11-9(7-8)10(12)5-6-14-11/h3-4,7H,2,5-6H2,1H3

InChIKey

YZTKUWPOHQJLDT-UHFFFAOYSA-N

Compound name

6-ethoxy-2,3-dihydrochromen-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 192.07864 Da
Monoisotopic Mass: 1.7
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]+	193.08592	137.5
[M+Na]+	215.06786	145.6
[M-H]-	191.07136	142.7
[M+NH4]+	210.11246	157.0
[M+K]+	231.04180	144.9
[M+H-H2O]+	175.07590	131.6
[M+HCOO]-	237.07684	158.4
[M+CH3COO]-	251.09249	183.0
[M+Na-2H]-	213.05331	145.6
[M]+	192.07809	139.1
[M]-	192.07919	139.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe