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 140.4
[M+Na]+ 233.02947 152.7
[M+NH4]+ 228.07407 146.7
[M+K]+ 249.00341 149.8
[M-H]- 209.03297 141.4
[M+Na-2H]- 231.01492 142.9
[M]+ 210.03970 141.9
[M]- 210.04080 141.9
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.