CID 10797099

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

Structural Information

Molecular Formula

C₈H₈N₂O₂

SMILES

C1C(=O)NC2=C(C=CC=C2O1)N

InChI

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

InChIKey

GXGYWLOHPYNWFE-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 53
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	131.2
[M+Na]+	187.04780	139.5
[M-H]-	163.05130	133.4
[M+NH4]+	182.09240	149.2
[M+K]+	203.02174	137.3
[M+H-H2O]+	147.05584	124.9
[M+HCOO]-	209.05678	150.5
[M+CH3COO]-	223.07243	176.3
[M+Na-2H]-	185.03325	139.6
[M]+	164.05803	127.3
[M]-	164.05913	127.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe