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]+ 211.047526 138.0
[M+Na]+ 233.029468 147.3
[M-H]- 209.032974 139.6
[M+NH4]+ 228.074073 154.2
[M+K]+ 249.003408 147.2
[M+H-H2O]+ 193.037510 133.9
[M+HCOO]- 255.038451 156.4
[M+CH3COO]- 269.054101 180.8
[M+Na-2H]- 231.014916 144.6
[M]+ 210.03970142 138.8
[M]- 210.04079858 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.