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]+ 205.060776 139.8
[M+Na]+ 227.042718 149.8
[M-H]- 203.046224 140.9
[M+NH4]+ 222.087323 156.6
[M+K]+ 243.016658 146.5
[M+H-H2O]+ 187.050760 132.5
[M+HCOO]- 249.051701 159.8
[M+CH3COO]- 263.067351 182.4
[M+Na-2H]- 225.028166 147.8
[M]+ 204.05295142 141.1
[M]- 204.05404858 141.1
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.