CID 30455

Benzoxazone

Structural Information

Molecular Formula

C₈H₁₀N₂O

SMILES

C1C2=C(CON1)C=C(C=C2)N

InChI

InChI=1S/C8H10N2O/c9-8-2-1-6-4-10-11-5-7(6)3-8/h1-3,10H,4-5,9H2

InChIKey

WEYTUUBWDDEAGG-UHFFFAOYSA-N

Compound name

3,4-dihydro-1H-2,3-benzoxazin-7-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 211
Patents: 150.07932 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]+	151.08660	129.4
[M+Na]+	173.06854	141.7
[M+NH4]+	168.11314	138.5
[M+K]+	189.04248	135.8
[M-H]-	149.07204	133.2
[M+Na-2H]-	171.05399	135.2
[M]+	150.07877	132.1
[M]-	150.07987	132.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe