CID 1445529

604756-32-3

Structural Information

Molecular Formula

C₁₁H₁₁NO₄

SMILES

CCOC(=O)C1=CC2=C(C=C1)OCC(=O)N2

InChI

InChI=1S/C11H11NO4/c1-2-15-11(14)7-3-4-9-8(5-7)12-10(13)6-16-9/h3-5H,2,6H2,1H3,(H,12,13)

InChIKey

MPEICULVCDBNPQ-UHFFFAOYSA-N

Compound name

ethyl 3-oxo-4H-1,4-benzoxazine-6-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 221.0688 Da
Monoisotopic Mass: 1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	222.076076	145.2
[M+Na]+	244.058018	152.8
[M-H]-	220.061524	147.6
[M+NH4]+	239.102623	161.2
[M+K]+	260.031958	151.5
[M+H-H2O]+	204.066060	138.4
[M+HCOO]-	266.067001	162.6
[M+CH3COO]-	280.082651	184.8
[M+Na-2H]-	242.043466	151.5
[M]+	221.06825142	145.5
[M]-	221.06934858	145.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe