CID 12318943

61548-55-8

Structural Information

Molecular Formula
C7H4N2O4
SMILES
C1=CC(=NC2=C1OC(=O)N2)C(=O)O
InChI
InChI=1S/C7H4N2O4/c10-6(11)3-1-2-4-5(8-3)9-7(12)13-4/h1-2H,(H,10,11)(H,8,9,12)
InChIKey
QUJROUANPPZCHA-UHFFFAOYSA-N
Compound name
2-oxo-3H-[1,3]oxazolo[4,5-b]pyridine-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

180.0171 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.02438 129.9
[M+Na]+ 203.00632 141.6
[M-H]- 179.00982 131.2
[M+NH4]+ 198.05092 147.6
[M+K]+ 218.98026 139.7
[M+H-H2O]+ 163.01436 123.9
[M+HCOO]- 225.01530 150.9
[M+CH3COO]- 239.03095 172.8
[M+Na-2H]- 200.99177 138.0
[M]+ 180.01655 132.6
[M]- 180.01765 132.6
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.