CID 7131158

203252-52-2

Structural Information

Molecular Formula
C10H8N2O3
SMILES
C1=CC=C2C(=C1)C(=O)C=NN2CC(=O)O
InChI
InChI=1S/C10H8N2O3/c13-9-5-11-12(6-10(14)15)8-4-2-1-3-7(8)9/h1-5H,6H2,(H,14,15)
InChIKey
LIHJDBHWCADCDH-UHFFFAOYSA-N
Compound name
2-(4-oxocinnolin-1-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

204.0535 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.06078 140.9
[M+Na]+ 227.04272 154.7
[M+NH4]+ 222.08732 147.8
[M+K]+ 243.01666 149.2
[M-H]- 203.04622 141.1
[M+Na-2H]- 225.02817 147.0
[M]+ 204.05295 142.7
[M]- 204.05405 142.7
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

No patent data available for this compound.