CID 22591303

521278-13-7

Structural Information

Molecular Formula
C7H5NO4
SMILES
C1OC2=CC(=NC=C2O1)C(=O)O
InChI
InChI=1S/C7H5NO4/c9-7(10)4-1-5-6(2-8-4)12-3-11-5/h1-2H,3H2,(H,9,10)
InChIKey
AZRROJDKRCFGNS-UHFFFAOYSA-N
Compound name
[1,3]dioxolo[4,5-c]pyridine-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

167.02185 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.029126 128.2
[M+Na]+ 190.011068 137.3
[M-H]- 166.014574 131.8
[M+NH4]+ 185.055673 146.8
[M+K]+ 205.985008 138.3
[M+H-H2O]+ 150.019110 122.9
[M+HCOO]- 212.020051 148.1
[M+CH3COO]- 226.035701 172.7
[M+Na-2H]- 187.996516 136.5
[M]+ 167.02130142 130.3
[M]- 167.02239858 130.3
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

patents stripe