CID 455311

8-methoxy-4-oxo-chromene-2,6-dicarboxylic acid

Structural Information

Molecular Formula
C12H8O7
SMILES
COC1=CC(=CC2=C1OC(=CC2=O)C(=O)O)C(=O)O
InChI
InChI=1S/C12H8O7/c1-18-8-3-5(11(14)15)2-6-7(13)4-9(12(16)17)19-10(6)8/h2-4H,1H3,(H,14,15)(H,16,17)
InChIKey
AXEOBQZFMJNNJR-UHFFFAOYSA-N
Compound name
8-methoxy-4-oxochromene-2,6-dicarboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

264.027 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.03428 148.8
[M+Na]+ 287.01622 158.7
[M-H]- 263.01972 152.6
[M+NH4]+ 282.06082 163.9
[M+K]+ 302.99016 158.3
[M+H-H2O]+ 247.02426 142.8
[M+HCOO]- 309.02520 168.2
[M+CH3COO]- 323.04085 192.6
[M+Na-2H]- 285.00167 153.9
[M]+ 264.02645 154.0
[M]- 264.02755 154.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.