CID 455309

7-methoxy-4-oxo-4h-chromene-2-carboxylic acid

Structural Information

Molecular Formula
C11H8O5
SMILES
COC1=CC2=C(C=C1)C(=O)C=C(O2)C(=O)O
InChI
InChI=1S/C11H8O5/c1-15-6-2-3-7-8(12)5-10(11(13)14)16-9(7)4-6/h2-5H,1H3,(H,13,14)
InChIKey
HJDIJMAWNXZWFJ-UHFFFAOYSA-N
Compound name
7-methoxy-4-oxochromene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

77
Patents

220.03717 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.044446 140.1
[M+Na]+ 243.026388 150.4
[M-H]- 219.029894 145.1
[M+NH4]+ 238.070993 157.9
[M+K]+ 259.000328 149.7
[M+H-H2O]+ 203.034430 134.2
[M+HCOO]- 265.035371 161.9
[M+CH3COO]- 279.051021 185.6
[M+Na-2H]- 241.011836 147.8
[M]+ 220.03662142 144.7
[M]- 220.03771858 144.7
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

patents stripe