CID 2758423

20197-92-6

Structural Information

Molecular Formula

C₁₀H₉NO₅

SMILES

COC1=C(C=C2C(=C1)C(=O)OC(=O)N2)OC

InChI

InChI=1S/C10H9NO5/c1-14-7-3-5-6(4-8(7)15-2)11-10(13)16-9(5)12/h3-4H,1-2H3,(H,11,13)

InChIKey

SHWCMBUPQTWNES-UHFFFAOYSA-N

Compound name

6,7-dimethoxy-1H-3,1-benzoxazine-2,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 54
Patents: 223.04807 Da
Monoisotopic Mass: 1.0
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]+	224.05535	142.6
[M+Na]+	246.03729	157.2
[M+NH4]+	241.08189	149.3
[M+K]+	262.01123	152.5
[M-H]-	222.04079	144.4
[M+Na-2H]-	244.02274	147.7
[M]+	223.04752	145.1
[M]-	223.04862	145.1

Literature stripe

literature stripe

Patent stripe

patents stripe