CID 294479

5-methoxyisatoic anhydride

Structural Information

Molecular Formula
C9H7NO4
SMILES
COC1=CC2=C(C=C1)NC(=O)OC2=O
InChI
InChI=1S/C9H7NO4/c1-13-5-2-3-7-6(4-5)8(11)14-9(12)10-7/h2-4H,1H3,(H,10,12)
InChIKey
JFAFNQOODJCVGT-UHFFFAOYSA-N
Compound name
6-methoxy-1H-3,1-benzoxazine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

217
Patents

193.0375 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.04478 134.9
[M+Na]+ 216.02672 149.9
[M+NH4]+ 211.07132 142.4
[M+K]+ 232.00066 144.6
[M-H]- 192.03022 137.2
[M+Na-2H]- 214.01217 141.0
[M]+ 193.03695 137.6
[M]- 193.03805 137.6
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