CID 3040066

Amino-oxolinic acid

Structural Information

Molecular Formula
C13H12N2O5
SMILES
CCN1C=C(C(=O)C2=C(C3=C(C=C21)OCO3)N)C(=O)O
InChI
InChI=1S/C13H12N2O5/c1-2-15-4-6(13(17)18)11(16)9-7(15)3-8-12(10(9)14)20-5-19-8/h3-4H,2,5,14H2,1H3,(H,17,18)
InChIKey
DZKGUVVWZUCSJU-UHFFFAOYSA-N
Compound name
9-amino-5-ethyl-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

276.07462 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.08190 159.0
[M+Na]+ 299.06384 169.5
[M-H]- 275.06734 163.8
[M+NH4]+ 294.10844 174.3
[M+K]+ 315.03778 168.2
[M+H-H2O]+ 259.07188 152.9
[M+HCOO]- 321.07282 177.0
[M+CH3COO]- 335.08847 200.3
[M+Na-2H]- 297.04929 163.5
[M]+ 276.07407 162.7
[M]- 276.07517 162.7
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

patents stripe