CID 3008091

Oprea1_225420

Structural Information

Molecular Formula

C₁₀H₁₁NO₄

SMILES

CC1C(=O)N(C2=C(O1)C=CC(=C2)OC)O

InChI

InChI=1S/C10H11NO4/c1-6-10(12)11(13)8-5-7(14-2)3-4-9(8)15-6/h3-6,13H,1-2H3

InChIKey

CHXKMDPLRHHEOM-UHFFFAOYSA-N

Compound name

4-hydroxy-6-methoxy-2-methyl-1,4-benzoxazin-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 209.0688 Da
Monoisotopic Mass: 0.9
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	141.4
[M+Na]+	232.058018	151.3
[M-H]-	208.061524	144.6
[M+NH4]+	227.102623	158.7
[M+K]+	248.031958	150.4
[M+H-H2O]+	192.066060	135.1
[M+HCOO]-	254.067001	160.0
[M+CH3COO]-	268.082651	184.9
[M+Na-2H]-	230.043466	148.1
[M]+	209.06825142	143.6
[M]-	209.06934858	143.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.