CID 15375012

187608-21-5

Structural Information

Molecular Formula

C₁₁H₉NO₆

SMILES

CCOC(=O)OC1=CC2=C(C=C1)C(=O)NC(=O)O2

InChI

InChI=1S/C11H9NO6/c1-2-16-11(15)17-6-3-4-7-8(5-6)18-10(14)12-9(7)13/h3-5H,2H2,1H3,(H,12,13,14)

InChIKey

LZOFUEWJEMLRRE-UHFFFAOYSA-N

Compound name

(2,4-dioxo-1,3-benzoxazin-7-yl) ethyl carbonate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 20
Patents: 251.04298 Da
Monoisotopic Mass: 1.5
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]+	252.05026	149.4
[M+Na]+	274.03220	162.6
[M+NH4]+	269.07680	154.9
[M+K]+	290.00614	158.7
[M-H]-	250.03570	150.1
[M+Na-2H]-	272.01765	153.5
[M]+	251.04243	151.2
[M]-	251.04353	151.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe