CID 5316862

Umckalin

Structural Information

Molecular Formula

C₁₁H₁₀O₅

SMILES

COC1=C(C(=CC2=C1C=CC(=O)O2)O)OC

InChI

InChI=1S/C11H10O5/c1-14-10-6-3-4-9(13)16-8(6)5-7(12)11(10)15-2/h3-5,12H,1-2H3

InChIKey

DVBPETFXQYSHLJ-UHFFFAOYSA-N

Compound name

7-hydroxy-5,6-dimethoxychromen-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 21
Patents: 222.05283 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]+	223.06011	141.1
[M+Na]+	245.04205	152.4
[M-H]-	221.04555	146.4
[M+NH4]+	240.08665	159.3
[M+K]+	261.01599	151.7
[M+H-H2O]+	205.05009	135.2
[M+HCOO]-	267.05103	163.7
[M+CH3COO]-	281.06668	186.8
[M+Na-2H]-	243.02750	149.4
[M]+	222.05228	147.5
[M]-	222.05338	147.5

Literature stripe

literature stripe

Patent stripe

patents stripe