CID 50920

4-hydroxy-6-methoxy-2h-1,4-benzoxazin-3(4h)-one

Structural Information

Molecular Formula
C9H9NO4
SMILES
COC1=CC2=C(C=C1)OCC(=O)N2O
InChI
InChI=1S/C9H9NO4/c1-13-6-2-3-8-7(4-6)10(12)9(11)5-14-8/h2-4,12H,5H2,1H3
InChIKey
CBWDZYHWPNHURY-UHFFFAOYSA-N
Compound name
4-hydroxy-6-methoxy-1,4-benzoxazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

195.05316 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.06044 136.7
[M+Na]+ 218.04238 146.1
[M-H]- 194.04588 139.7
[M+NH4]+ 213.08698 154.2
[M+K]+ 234.01632 145.3
[M+H-H2O]+ 178.05042 130.3
[M+HCOO]- 240.05136 155.6
[M+CH3COO]- 254.06701 180.5
[M+Na-2H]- 216.02783 144.6
[M]+ 195.05261 138.2
[M]- 195.05371 138.2
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

No patent data available for this compound.