CID 688879

6-methoxychromone-3-carboxaldehyde

Structural Information

Molecular Formula

C₁₁H₈O₄

SMILES

COC1=CC2=C(C=C1)OC=C(C2=O)C=O

InChI

InChI=1S/C11H8O4/c1-14-8-2-3-10-9(4-8)11(13)7(5-12)6-15-10/h2-6H,1H3

InChIKey

ILFXSWVYDSZVBC-UHFFFAOYSA-N

Compound name

6-methoxy-4-oxochromene-3-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 27
Patents: 204.04225 Da
Monoisotopic Mass: 1.2
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]+	205.049526	136.3
[M+Na]+	227.031468	147.6
[M-H]-	203.034974	142.7
[M+NH4]+	222.076073	155.7
[M+K]+	243.005408	146.6
[M+H-H2O]+	187.039510	130.4
[M+HCOO]-	249.040451	160.5
[M+CH3COO]-	263.056101	185.0
[M+Na-2H]-	225.016916	145.8
[M]+	204.04170142	142.0
[M]-	204.04279858	142.0

Literature stripe

literature stripe

Patent stripe

patents stripe