CID 25419126

886362-85-2

Structural Information

Molecular Formula

C₁₀H₇NO₅

SMILES

COC(=O)C1=CC=CC2=C1NC(=O)OC2=O

InChI

InChI=1S/C10H7NO5/c1-15-8(12)5-3-2-4-6-7(5)11-10(14)16-9(6)13/h2-4H,1H3,(H,11,14)

InChIKey

ILJRCDXWGMKDHL-UHFFFAOYSA-N

Compound name

methyl 2,4-dioxo-1H-3,1-benzoxazine-8-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 221.03242 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]+	222.03970	139.7
[M+Na]+	244.02164	150.9
[M-H]-	220.02514	143.5
[M+NH4]+	239.06624	156.2
[M+K]+	259.99558	149.5
[M+H-H2O]+	204.02968	133.2
[M+HCOO]-	266.03062	160.8
[M+CH3COO]-	280.04627	184.0
[M+Na-2H]-	242.00709	147.9
[M]+	221.03187	143.7
[M]-	221.03297	143.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe