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]+ 234.07608 147.0
[M+Na]+ 256.05802 156.7
[M-H]- 232.06152 151.4
[M+NH4]+ 251.10262 163.5
[M+K]+ 272.03196 155.7
[M+H-H2O]+ 216.06606 139.7
[M+HCOO]- 278.06700 168.5
[M+CH3COO]- 292.08265 189.7
[M+Na-2H]- 254.04347 155.2
[M]+ 233.06825 152.4
[M]- 233.06935 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.