CID 56316

92024-91-4

Structural Information

Molecular Formula
C12H8O5
SMILES
COC1=CC=CC2=C1OC(=O)C(=C2)C(=O)C=O
InChI
InChI=1S/C12H8O5/c1-16-10-4-2-3-7-5-8(9(14)6-13)12(15)17-11(7)10/h2-6H,1H3
InChIKey
QFOQBNJFBMEGBY-UHFFFAOYSA-N
Compound name
2-(8-methoxy-2-oxochromen-3-yl)-2-oxoacetaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.03717 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.044446 142.7
[M+Na]+ 255.026388 153.3
[M-H]- 231.029894 148.9
[M+NH4]+ 250.070993 160.6
[M+K]+ 271.000328 152.6
[M+H-H2O]+ 215.034430 136.4
[M+HCOO]- 277.035371 165.9
[M+CH3COO]- 291.051021 190.3
[M+Na-2H]- 253.011836 150.4
[M]+ 232.03662142 148.8
[M]- 232.03771858 148.8
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.