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]+ 250.10739 154.0
[M+Na]+ 272.08933 161.1
[M-H]- 248.09283 157.3
[M+NH4]+ 267.13393 169.6
[M+K]+ 288.06327 160.2
[M+H-H2O]+ 232.09737 146.5
[M+HCOO]- 294.09831 172.2
[M+CH3COO]- 308.11396 193.3
[M+Na-2H]- 270.07478 159.7
[M]+ 249.09956 156.8
[M]- 249.10066 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.