CID 25200838

2-hydroxy-7-methoxy-4-oxido-1,4-benzoxazin-3-one

Structural Information

Molecular Formula
C9H8NO5
SMILES
COC1=CC2=C(C=C1)N(C(=O)C(O2)O)[O-]
InChI
InChI=1S/C9H8NO5/c1-14-5-2-3-6-7(4-5)15-9(12)8(11)10(6)13/h2-4,9,12H,1H3/q-1
InChIKey
NVWSHDUTSCLIGK-UHFFFAOYSA-N
Compound name
2-hydroxy-7-methoxy-4-oxido-1,4-benzoxazin-3-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

210.04025 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.04753 138.0
[M+Na]+ 233.02947 147.3
[M-H]- 209.03297 139.6
[M+NH4]+ 228.07407 154.2
[M+K]+ 249.00341 147.2
[M+H-H2O]+ 193.03751 133.9
[M+HCOO]- 255.03845 156.4
[M+CH3COO]- 269.05410 180.8
[M+Na-2H]- 231.01492 144.6
[M]+ 210.03970 138.8
[M]- 210.04080 138.8
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.