CID 2763681

6-amino-2h-1,4-benzoxazin-3(4h)-one

Structural Information

Molecular Formula

C₈H₈N₂O₂

SMILES

C1C(=O)NC2=C(O1)C=CC(=C2)N

InChI

InChI=1S/C8H8N2O2/c9-5-1-2-7-6(3-5)10-8(11)4-12-7/h1-3H,4,9H2,(H,10,11)

InChIKey

GEPGYMHEMLZMBC-UHFFFAOYSA-N

Compound name

6-amino-4H-1,4-benzoxazin-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 590
Patents: 164.05858 Da
Monoisotopic Mass: 0.2
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]+	165.06586	131.7
[M+Na]+	187.04780	143.9
[M+NH4]+	182.09240	139.9
[M+K]+	203.02174	138.7
[M-H]-	163.05130	134.8
[M+Na-2H]-	185.03325	136.6
[M]+	164.05803	134.1
[M]-	164.05913	134.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe