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

5
Patents

167.02185 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.02913 128.2
[M+Na]+ 190.01107 137.3
[M-H]- 166.01457 131.8
[M+NH4]+ 185.05567 146.8
[M+K]+ 205.98501 138.3
[M+H-H2O]+ 150.01911 122.9
[M+HCOO]- 212.02005 148.1
[M+CH3COO]- 226.03570 172.7
[M+Na-2H]- 187.99652 136.5
[M]+ 167.02130 130.3
[M]- 167.02240 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