CID 5702825

1084-45-3

Structural Information

Molecular Formula

C₁₂H₁₀O₅

SMILES

CCOC(=O)C1=CC(=O)OC2=C1C=CC(=C2)O

InChI

InChI=1S/C12H10O5/c1-2-16-12(15)9-6-11(14)17-10-5-7(13)3-4-8(9)10/h3-6,13H,2H2,1H3

InChIKey

SNMUERBNQDOIQB-UHFFFAOYSA-N

Compound name

ethyl 7-hydroxy-2-oxochromene-4-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
Patents: 234.05283 Da
Monoisotopic Mass: 1.5
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]+	235.06011	145.1
[M+Na]+	257.04205	155.1
[M-H]-	233.04555	150.0
[M+NH4]+	252.08665	162.5
[M+K]+	273.01599	154.1
[M+H-H2O]+	217.05009	139.1
[M+HCOO]-	279.05103	166.6
[M+CH3COO]-	293.06668	188.0
[M+Na-2H]-	255.02750	152.3
[M]+	234.05228	150.0
[M]-	234.05338	150.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe