CID 13665546

105807-83-8

Structural Information

Molecular Formula

C₁₀H₁₂N₂O₂

SMILES

CC1(C(=O)NC2=C(O1)C=C(C=C2)N)C

InChI

InChI=1S/C10H12N2O2/c1-10(2)9(13)12-7-4-3-6(11)5-8(7)14-10/h3-5H,11H2,1-2H3,(H,12,13)

InChIKey

UXMAGPQBCODAEJ-UHFFFAOYSA-N

Compound name

7-amino-2,2-dimethyl-4H-1,4-benzoxazin-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 47
Patents: 192.08987 Da
Monoisotopic Mass: 0.8
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]+	193.09715	140.5
[M+Na]+	215.07909	149.8
[M-H]-	191.08259	143.1
[M+NH4]+	210.12369	159.8
[M+K]+	231.05303	147.5
[M+H-H2O]+	175.08713	134.6
[M+HCOO]-	237.08807	159.0
[M+CH3COO]-	251.10372	183.2
[M+Na-2H]-	213.06454	148.1
[M]+	192.08932	138.0
[M]-	192.09042	138.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe