CID 71312492

1228182-43-1

Structural Information

Molecular Formula
C12H9NO6
SMILES
[2H]C([2H])([2H])ON1C=C(C(=O)C2=CC3=C(C=C21)OCO3)C(=O)O
InChI
InChI=1S/C12H9NO6/c1-17-13-4-7(12(15)16)11(14)6-2-9-10(3-8(6)13)19-5-18-9/h2-4H,5H2,1H3,(H,15,16)/i1D3
InChIKey
ABQYZRZVRIPTPI-FIBGUPNXSA-N
Compound name
8-oxo-5-(trideuteriomethoxy)-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.06183 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.06911 159.7
[M+Na]+ 289.05105 171.6
[M+NH4]+ 284.09565 165.8
[M+K]+ 305.02499 170.3
[M-H]- 265.05455 161.3
[M+Na-2H]- 287.03650 161.1
[M]+ 266.06128 161.7
[M]- 266.06238 161.7
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.