CID 439458

7,8-dihydro-7,8-dihydroxykynurenate

Structural Information

Molecular Formula
C10H9NO5
SMILES
C1=CC2=C(C(C1O)O)NC(=CC2=O)C(=O)O
InChI
InChI=1S/C10H9NO5/c12-6-2-1-4-7(13)3-5(10(15)16)11-8(4)9(6)14/h1-3,6,9,12,14H,(H,11,13)(H,15,16)
InChIKey
LLAWHKBFIBTIBH-UHFFFAOYSA-N
Compound name
7,8-dihydroxy-4-oxo-7,8-dihydro-1H-quinoline-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

150
Patents

223.04807 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.05535 144.7
[M+Na]+ 246.03729 155.9
[M+NH4]+ 241.08189 150.2
[M+K]+ 262.01123 152.9
[M-H]- 222.04079 143.1
[M+Na-2H]- 244.02274 147.1
[M]+ 223.04752 145.4
[M]- 223.04862 145.4
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