CID 335809

Nsc347196

Structural Information

Molecular Formula
C10H9NO5
SMILES
COC(=O)C1=CC2=C(C=C1)OC(=O)NC2O
InChI
InChI=1S/C10H9NO5/c1-15-9(13)5-2-3-7-6(4-5)8(12)11-10(14)16-7/h2-4,8,12H,1H3,(H,11,14)
InChIKey
NHYYDGASYFCJPY-UHFFFAOYSA-N
Compound name
methyl 4-hydroxy-2-oxo-3,4-dihydro-1,3-benzoxazine-6-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.04807 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.05535 143.8
[M+Na]+ 246.03729 152.1
[M-H]- 222.04079 145.3
[M+NH4]+ 241.08189 159.2
[M+K]+ 262.01123 150.8
[M+H-H2O]+ 206.04533 137.5
[M+HCOO]- 268.04627 160.1
[M+CH3COO]- 282.06192 183.0
[M+Na-2H]- 244.02274 149.5
[M]+ 223.04752 143.8
[M]- 223.04862 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

No patent data available for this compound.