CID 69508

2,3-quinolinedicarboxylic acid

Structural Information

Molecular Formula
C11H7NO4
SMILES
C1=CC=C2C(=C1)C=C(C(=N2)C(=O)O)C(=O)O
InChI
InChI=1S/C11H7NO4/c13-10(14)7-5-6-3-1-2-4-8(6)12-9(7)11(15)16/h1-5H,(H,13,14)(H,15,16)
InChIKey
YHUVMHKAHWKQBI-UHFFFAOYSA-N
Compound name
quinoline-2,3-dicarboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

637
Patents

217.0375 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.04478 142.3
[M+Na]+ 240.02672 151.0
[M-H]- 216.03022 143.4
[M+NH4]+ 235.07132 159.0
[M+K]+ 256.00066 148.0
[M+H-H2O]+ 200.03476 136.0
[M+HCOO]- 262.03570 161.0
[M+CH3COO]- 276.05135 183.2
[M+Na-2H]- 238.01217 148.2
[M]+ 217.03695 142.5
[M]- 217.03805 142.5
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