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

60
Patents

207.05316 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.060436 140.5
[M+Na]+ 230.042378 148.6
[M-H]- 206.045884 143.0
[M+NH4]+ 225.086983 157.1
[M+K]+ 246.016318 147.5
[M+H-H2O]+ 190.050420 133.9
[M+HCOO]- 252.051361 158.3
[M+CH3COO]- 266.067011 181.8
[M+Na-2H]- 228.027826 147.4
[M]+ 207.05261142 140.5
[M]- 207.05370858 140.5
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