CID 3010949

Chembl326470

Structural Information

Molecular Formula
C10H6O5
SMILES
C1=CC=C2C(=C1)C(=O)C(=C(O2)C(=O)O)O
InChI
InChI=1S/C10H6O5/c11-7-5-3-1-2-4-6(5)15-9(8(7)12)10(13)14/h1-4,12H,(H,13,14)
InChIKey
IUKHRRJJZYWSMG-UHFFFAOYSA-N
Compound name
3-hydroxy-4-oxochromene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

23
Patents

206.02153 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.02881 136.0
[M+Na]+ 229.01075 146.4
[M-H]- 205.01425 139.8
[M+NH4]+ 224.05535 153.7
[M+K]+ 244.98469 144.9
[M+H-H2O]+ 189.01879 130.6
[M+HCOO]- 251.01973 156.6
[M+CH3COO]- 265.03538 180.3
[M+Na-2H]- 226.99620 143.8
[M]+ 206.02098 138.5
[M]- 206.02208 138.5
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.