CID 2759315

6-hydroxy-2,4-dihydro-1h-3,1-benzoxazine-2,4-dione

Structural Information

Molecular Formula
C8H5NO4
SMILES
C1=CC2=C(C=C1O)C(=O)OC(=O)N2
InChI
InChI=1S/C8H5NO4/c10-4-1-2-6-5(3-4)7(11)13-8(12)9-6/h1-3,10H,(H,9,12)
InChIKey
JYDXUDOZEQAXBH-UHFFFAOYSA-N
Compound name
6-hydroxy-1H-3,1-benzoxazine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

86
Patents

179.02185 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.029126 129.4
[M+Na]+ 202.011068 141.2
[M-H]- 178.014574 132.0
[M+NH4]+ 197.055673 147.1
[M+K]+ 217.985008 138.7
[M+H-H2O]+ 162.019110 123.5
[M+HCOO]- 224.020051 150.2
[M+CH3COO]- 238.035701 173.8
[M+Na-2H]- 199.996516 139.3
[M]+ 179.02130142 130.9
[M]- 179.02239858 130.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe