CID 135860511

134478-77-6

Structural Information

Molecular Formula
C14H10NO5
SMILES
C=CC=[N+]1C=C(C(=O)C2=CC3=C(C=C21)OCO3)C(=O)O
InChI
InChI=1S/C14H9NO5/c1-2-3-15-6-9(14(17)18)13(16)8-4-11-12(5-10(8)15)20-7-19-11/h2-6H,1,7H2/p+1
InChIKey
UHMQDMNNXDNNKZ-UHFFFAOYSA-O
Compound name
8-oxo-5-prop-2-enylidene-[1,3]dioxolo[4,5-g]quinolin-5-ium-7-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.0559 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.06318 158.0
[M+Na]+ 295.04512 167.4
[M-H]- 271.04862 162.8
[M+NH4]+ 290.08972 173.3
[M+K]+ 311.01906 159.7
[M+H-H2O]+ 255.05316 154.8
[M+HCOO]- 317.05410 174.0
[M+CH3COO]- 331.06975 187.8
[M+Na-2H]- 293.03057 165.0
[M]+ 272.05535 158.9
[M]- 272.05645 158.9
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

No patent data available for this compound.