CID 6483753

105807-80-5

Structural Information

Molecular Formula

C₉H₁₀N₂O₂

SMILES

CC1C(=O)NC2=C(O1)C=CC(=C2)N

InChI

InChI=1S/C9H10N2O2/c1-5-9(12)11-7-4-6(10)2-3-8(7)13-5/h2-5H,10H2,1H3,(H,11,12)

InChIKey

SUYYYBBFOLGROC-UHFFFAOYSA-N

Compound name

6-amino-2-methyl-4H-1,4-benzoxazin-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 38
Patents: 178.07423 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]+	179.08151	136.2
[M+Na]+	201.06345	148.6
[M+NH4]+	196.10805	144.2
[M+K]+	217.03739	143.3
[M-H]-	177.06695	139.3
[M+Na-2H]-	199.04890	140.6
[M]+	178.07368	138.6
[M]-	178.07478	138.6

Literature stripe

literature stripe

Patent stripe

patents stripe