CID 9449826

Methyl 3-(2-oxo-2h-1,4-benzoxazin-3-yl)propanoate

Structural Information

Molecular Formula
C12H11NO4
SMILES
COC(=O)CCC1=NC2=CC=CC=C2OC1=O
InChI
InChI=1S/C12H11NO4/c1-16-11(14)7-6-9-12(15)17-10-5-3-2-4-8(10)13-9/h2-5H,6-7H2,1H3
InChIKey
OJXRRMSWAHHCHC-UHFFFAOYSA-N
Compound name
methyl 3-(2-oxo-1,4-benzoxazin-3-yl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.0688 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.076076 147.0
[M+Na]+ 256.058018 156.7
[M-H]- 232.061524 151.4
[M+NH4]+ 251.102623 163.5
[M+K]+ 272.031958 155.7
[M+H-H2O]+ 216.066060 139.7
[M+HCOO]- 278.067001 168.5
[M+CH3COO]- 292.082651 189.7
[M+Na-2H]- 254.043466 155.2
[M]+ 233.06825142 152.4
[M]- 233.06934858 152.4
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

No patent data available for this compound.