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]+ 233.04445 144.5
[M+Na]+ 255.02639 158.8
[M+NH4]+ 250.07099 151.7
[M+K]+ 271.00033 153.6
[M-H]- 231.02989 147.1
[M+Na-2H]- 253.01184 150.1
[M]+ 232.03662 147.2
[M]- 232.03772 147.2
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.