CID 9834041

2-amino-4h-3,1-benzoxazin-4-one

Structural Information

Molecular Formula

C₈H₆N₂O₂

SMILES

C1=CC=C2C(=C1)C(=O)OC(=N2)N

InChI

InChI=1S/C8H6N2O2/c9-8-10-6-4-2-1-3-5(6)7(11)12-8/h1-4H,(H2,9,10)

InChIKey

YYPXNAAEYOJYES-UHFFFAOYSA-N

Compound name

2-amino-3,1-benzoxazin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 115
Patents: 162.04292 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]+	163.05020	128.6
[M+Na]+	185.03214	143.3
[M+NH4]+	180.07674	137.3
[M+K]+	201.00608	137.4
[M-H]-	161.03564	132.7
[M+Na-2H]-	183.01759	136.0
[M]+	162.04237	131.8
[M]-	162.04347	131.8

Literature stripe

literature stripe

Patent stripe

patents stripe