CID 21644177

132522-83-9

Structural Information

Molecular Formula

C₉H₁₀N₂O₂

SMILES

CN1C(=O)COC2=CC=CC(=C21)N

InChI

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

InChIKey

WFBXYEPLEPAVMO-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 178.07423 Da
Monoisotopic Mass: 0.4
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	135.7
[M+Na]+	201.06345	148.7
[M+NH4]+	196.10805	144.2
[M+K]+	217.03739	143.2
[M-H]-	177.06695	139.4
[M+Na-2H]-	199.04890	140.8
[M]+	178.07368	138.5
[M]-	178.07478	138.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe