CID 318718

53512-17-7

Structural Information

Molecular Formula
C9H6N2O3
SMILES
C1=CC=C2C(=C1)C(=O)C(=NN2)C(=O)O
InChI
InChI=1S/C9H6N2O3/c12-8-5-3-1-2-4-6(5)10-11-7(8)9(13)14/h1-4H,(H,10,12)(H,13,14)
InChIKey
ZIPLRYYWAXPVMG-UHFFFAOYSA-N
Compound name
4-oxo-1H-cinnoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

100
Patents

190.03784 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.04512 136.9
[M+Na]+ 213.02706 150.4
[M+NH4]+ 208.07166 143.6
[M+K]+ 229.00100 145.4
[M-H]- 189.03056 136.6
[M+Na-2H]- 211.01251 142.6
[M]+ 190.03729 138.5
[M]- 190.03839 138.5
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