CID 10750295

5-methoxy-2h-3,1-benzoxazine-2,4(1h)-dione

Structural Information

Molecular Formula
C9H7NO4
SMILES
COC1=CC=CC2=C1C(=O)OC(=O)N2
InChI
InChI=1S/C9H7NO4/c1-13-6-4-2-3-5-7(6)8(11)14-9(12)10-5/h2-4H,1H3,(H,10,12)
InChIKey
KIZGBTDENGRWRS-UHFFFAOYSA-N
Compound name
5-methoxy-1H-3,1-benzoxazine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

173
Patents

193.0375 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.044776 133.3
[M+Na]+ 216.026718 145.0
[M-H]- 192.030224 137.1
[M+NH4]+ 211.071323 151.1
[M+K]+ 232.000658 143.3
[M+H-H2O]+ 176.034760 127.0
[M+HCOO]- 238.035701 155.3
[M+CH3COO]- 252.051351 179.2
[M+Na-2H]- 214.012166 143.2
[M]+ 193.03695142 136.9
[M]- 193.03804858 136.9
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

patents stripe