CID 13090329

84330-84-7

Structural Information

Molecular Formula

C₁₀H₉NO₃

SMILES

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

InChI

InChI=1S/C10H9NO3/c1-6(12)7-2-3-8-9(4-7)14-5-10(13)11-8/h2-4H,5H2,1H3,(H,11,13)

InChIKey

ACFYAUKMPJWHID-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 34
Patents: 191.05824 Da
Monoisotopic Mass: 0.6
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]+	192.06552	137.5
[M+Na]+	214.04746	145.6
[M-H]-	190.05096	140.0
[M+NH4]+	209.09206	154.8
[M+K]+	230.02140	143.9
[M+H-H2O]+	174.05550	131.2
[M+HCOO]-	236.05644	155.1
[M+CH3COO]-	250.07209	180.2
[M+Na-2H]-	212.03291	144.3
[M]+	191.05769	136.1
[M]-	191.05879	136.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe