CID 82660404

1514663-78-5

Structural Information

Molecular Formula
C9H9NO5
SMILES
C1COCC2=C(C(=CC(=O)N21)O)C(=O)O
InChI
InChI=1S/C9H9NO5/c11-6-3-7(12)10-1-2-15-4-5(10)8(6)9(13)14/h3,11H,1-2,4H2,(H,13,14)
InChIKey
AFNYJEJIPBGFEG-UHFFFAOYSA-N
Compound name
8-hydroxy-6-oxo-3,4-dihydro-1H-pyrido[2,1-c][1,4]oxazine-9-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

211.04807 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.05535 139.2
[M+Na]+ 234.03729 147.9
[M-H]- 210.04079 140.9
[M+NH4]+ 229.08189 155.1
[M+K]+ 250.01123 146.9
[M+H-H2O]+ 194.04533 133.1
[M+HCOO]- 256.04627 155.9
[M+CH3COO]- 270.06192 180.7
[M+Na-2H]- 232.02274 145.5
[M]+ 211.04752 139.0
[M]- 211.04862 139.0
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.