CID 205669

Brn 1137603

Structural Information

Molecular Formula
C13H15NO4
SMILES
CCOC(=O)CCN1CC2=CC=CC=C2OC1=O
InChI
InChI=1S/C13H15NO4/c1-2-17-12(15)7-8-14-9-10-5-3-4-6-11(10)18-13(14)16/h3-6H,2,7-9H2,1H3
InChIKey
FFYFKABMFYQJCO-UHFFFAOYSA-N
Compound name
ethyl 3-(2-oxo-4H-1,3-benzoxazin-3-yl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.10011 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.107386 154.0
[M+Na]+ 272.089328 161.1
[M-H]- 248.092834 157.3
[M+NH4]+ 267.133933 169.6
[M+K]+ 288.063268 160.2
[M+H-H2O]+ 232.097370 146.5
[M+HCOO]- 294.098311 172.2
[M+CH3COO]- 308.113961 193.3
[M+Na-2H]- 270.074776 159.7
[M]+ 249.09956142 156.8
[M]- 249.10065858 156.8
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.