CID 22974

6468-78-6

Structural Information

Molecular Formula
C13H8O6
SMILES
COC(=O)C1=CC2=C(C=C1)OC(=O)C(=C2)C(=O)C=O
InChI
InChI=1S/C13H8O6/c1-18-12(16)7-2-3-11-8(4-7)5-9(10(15)6-14)13(17)19-11/h2-6H,1H3
InChIKey
GNEHPDSPEQGVLW-UHFFFAOYSA-N
Compound name
methyl 3-oxaldehydoyl-2-oxochromene-6-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.03207 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.03935 150.8
[M+Na]+ 283.02129 164.1
[M+NH4]+ 278.06589 156.8
[M+K]+ 298.99523 160.0
[M-H]- 259.02479 152.4
[M+Na-2H]- 281.00674 155.2
[M]+ 260.03152 152.9
[M]- 260.03262 152.9
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

No patent data available for this compound.