CID 3087787

Brn 5947023

Structural Information

Molecular Formula

C₁₁H₁₁NO₃

SMILES

CC(=O)C1=CC2=C(C=C1)N(C(=O)CO2)C

InChI

InChI=1S/C11H11NO3/c1-7(13)8-3-4-9-10(5-8)15-6-11(14)12(9)2/h3-5H,6H2,1-2H3

InChIKey

XTLDCEGIZIGZTI-UHFFFAOYSA-N

Compound name

7-acetyl-4-methyl-1,4-benzoxazin-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
Patents: 205.0739 Da
Monoisotopic Mass: 0.7
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]+	206.08118	142.3
[M+Na]+	228.06312	155.7
[M+NH4]+	223.10772	150.2
[M+K]+	244.03706	150.4
[M-H]-	204.06662	145.0
[M+Na-2H]-	226.04857	146.8
[M]+	205.07335	144.9
[M]-	205.07445	144.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe