CID 135438098

4-hydroxy-2-oxo-2h-chromene-3-carbaldehyde

Structural Information

Molecular Formula
C10H6O4
SMILES
C1=CC=C2C(=C1)C(=C(C(=O)O2)C=O)O
InChI
InChI=1S/C10H6O4/c11-5-7-9(12)6-3-1-2-4-8(6)14-10(7)13/h1-5,12H
InChIKey
WNIIGYLAWCFYOW-UHFFFAOYSA-N
Compound name
4-hydroxy-2-oxochromene-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

39
Patents

190.02661 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.033886 132.2
[M+Na]+ 213.015828 143.6
[M-H]- 189.019334 137.4
[M+NH4]+ 208.060433 151.5
[M+K]+ 228.989768 141.8
[M+H-H2O]+ 173.023870 126.8
[M+HCOO]- 235.024811 155.3
[M+CH3COO]- 249.040461 179.4
[M+Na-2H]- 211.001276 141.7
[M]+ 190.02606142 135.7
[M]- 190.02715858 135.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe