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

16
Patents

204.04225 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.04953 136.7
[M+Na]+ 227.03147 148.5
[M-H]- 203.03497 142.1
[M+NH4]+ 222.07607 155.7
[M+K]+ 243.00541 146.6
[M+H-H2O]+ 187.03951 131.3
[M+HCOO]- 249.04045 159.4
[M+CH3COO]- 263.05610 183.7
[M+Na-2H]- 225.01692 145.0
[M]+ 204.04170 141.0
[M]- 204.04280 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