CID 294479

6-methoxy-2,4-dihydro-1h-3,1-benzoxazine-2,4-dione

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

218
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

literature stripe

Patent stripe

patents stripe