CID 66713797

1356410-56-4

Structural Information

Molecular Formula

C₁₀H₁₁NO₄

SMILES

CCOC(=O)C1=NOC2=C1CCCC2=O

InChI

InChI=1S/C10H11NO4/c1-2-14-10(13)8-6-4-3-5-7(12)9(6)15-11-8/h2-5H2,1H3

InChIKey

FSGZVQSYELDIFO-UHFFFAOYSA-N

Compound name

ethyl 7-oxo-5,6-dihydro-4H-1,2-benzoxazole-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 209.0688 Da
Monoisotopic Mass: 1.4
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]+	210.076076	141.9
[M+Na]+	232.058018	150.2
[M-H]-	208.061524	145.7
[M+NH4]+	227.102623	161.0
[M+K]+	248.031958	150.1
[M+H-H2O]+	192.066060	135.9
[M+HCOO]-	254.067001	161.9
[M+CH3COO]-	268.082651	184.1
[M+Na-2H]-	230.043466	146.7
[M]+	209.06825142	144.4
[M]-	209.06934858	144.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe