CID 14381997

4-methoxyisatoic anhydride

Structural Information

Molecular Formula
C9H7NO4
SMILES
COC1=CC2=C(C=C1)C(=O)OC(=O)N2
InChI
InChI=1S/C9H7NO4/c1-13-5-2-3-6-7(4-5)10-9(12)14-8(6)11/h2-4H,1H3,(H,10,12)
InChIKey
XAJRDVIVFVGXNN-UHFFFAOYSA-N
Compound name
7-methoxy-1H-3,1-benzoxazine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

136
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

literature stripe

Patent stripe

patents stripe