CID 135501599

4-hydroxy-6-methyl-2-oxo-2h-chromene-3-carbaldehyde

Structural Information

Molecular Formula
C11H8O4
SMILES
CC1=CC2=C(C=C1)OC(=O)C(=C2O)C=O
InChI
InChI=1S/C11H8O4/c1-6-2-3-9-7(4-6)10(13)8(5-12)11(14)15-9/h2-5,13H,1H3
InChIKey
GNJLDOHIPVFYTM-UHFFFAOYSA-N
Compound name
4-hydroxy-6-methyl-2-oxochromene-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

204.04225 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.049526 136.7
[M+Na]+ 227.031468 148.5
[M-H]- 203.034974 142.1
[M+NH4]+ 222.076073 155.7
[M+K]+ 243.005408 146.6
[M+H-H2O]+ 187.039510 131.3
[M+HCOO]- 249.040451 159.4
[M+CH3COO]- 263.056101 183.7
[M+Na-2H]- 225.016916 145.0
[M]+ 204.04170142 141.0
[M]- 204.04279858 141.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe