CID 23770643

149396-34-9

Structural Information

Molecular Formula
C10H9NO4
SMILES
COC(=O)C1=C2C(=CC=C1)NC(=O)CO2
InChI
InChI=1S/C10H9NO4/c1-14-10(13)6-3-2-4-7-9(6)15-5-8(12)11-7/h2-4H,5H2,1H3,(H,11,12)
InChIKey
NIWLJRLGYZNNLM-UHFFFAOYSA-N
Compound name
methyl 3-oxo-4H-1,4-benzoxazine-8-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

49
Patents

207.05316 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.06044 141.8
[M+Na]+ 230.04238 154.0
[M+NH4]+ 225.08698 148.9
[M+K]+ 246.01632 149.5
[M-H]- 206.04588 143.4
[M+Na-2H]- 228.02783 145.7
[M]+ 207.05261 143.8
[M]- 207.05371 143.8
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