CID 181620

Chromone-3-carboxylic acid

Structural Information

Molecular Formula
C10H6O4
SMILES
C1=CC=C2C(=C1)C(=O)C(=CO2)C(=O)O
InChI
InChI=1S/C10H6O4/c11-9-6-3-1-2-4-8(6)14-5-7(9)10(12)13/h1-5H,(H,12,13)
InChIKey
PCIITXGDSHXTSN-UHFFFAOYSA-N
Compound name
4-oxochromene-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

274
Patents

190.02661 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.03389 132.8
[M+Na]+ 213.01583 142.8
[M-H]- 189.01933 137.6
[M+NH4]+ 208.06043 151.6
[M+K]+ 228.98977 141.6
[M+H-H2O]+ 173.02387 127.2
[M+HCOO]- 235.02481 154.8
[M+CH3COO]- 249.04046 179.1
[M+Na-2H]- 211.00128 141.7
[M]+ 190.02606 135.2
[M]- 190.02716 135.2
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