CID 10559679

34954-65-9

Structural Information

Molecular Formula
C9H7NO4
SMILES
COC1=CC=CC2=C1NC(=O)OC2=O
InChI
InChI=1S/C9H7NO4/c1-13-6-4-2-3-5-7(6)10-9(12)14-8(5)11/h2-4H,1H3,(H,10,12)
InChIKey
ZPTOZGCACQWXJX-UHFFFAOYSA-N
Compound name
8-methoxy-1H-3,1-benzoxazine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

152
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 133.3
[M+Na]+ 216.02672 145.0
[M-H]- 192.03022 137.1
[M+NH4]+ 211.07132 151.1
[M+K]+ 232.00066 143.3
[M+H-H2O]+ 176.03476 127.0
[M+HCOO]- 238.03570 155.3
[M+CH3COO]- 252.05135 179.2
[M+Na-2H]- 214.01217 143.2
[M]+ 193.03695 136.9
[M]- 193.03805 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