CID 5493018

18465-39-9

Structural Information

Molecular Formula
C12H11NO5
SMILES
CCN1C=C(C(=O)C2=CC(=C(C=C21)O)O)C(=O)O
InChI
InChI=1S/C12H11NO5/c1-2-13-5-7(12(17)18)11(16)6-3-9(14)10(15)4-8(6)13/h3-5,14-15H,2H2,1H3,(H,17,18)
InChIKey
OQZXRUZJSSMRFB-UHFFFAOYSA-N
Compound name
1-ethyl-6,7-dihydroxy-4-oxoquinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

249.06372 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.070996 150.3
[M+Na]+ 272.052938 160.9
[M-H]- 248.056444 150.9
[M+NH4]+ 267.097543 165.9
[M+K]+ 288.026878 157.2
[M+H-H2O]+ 232.060980 144.3
[M+HCOO]- 294.061921 168.1
[M+CH3COO]- 308.077571 189.3
[M+Na-2H]- 270.038386 154.2
[M]+ 249.06317142 152.3
[M]- 249.06426858 152.3
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