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 155.8
[M+Na]+ 295.04512 169.8
[M+NH4]+ 290.08972 163.1
[M+K]+ 311.01906 167.9
[M-H]- 271.04862 159.7
[M+Na-2H]- 293.03057 157.6
[M]+ 272.05535 159.0
[M]- 272.05645 159.0
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.