CID 11542911

8-amino-2,4-dimethyl-2h-1,4-benzoxazin-3(4h)-one

Structural Information

Molecular Formula

C₁₀H₁₂N₂O₂

SMILES

CC1C(=O)N(C2=CC=CC(=C2O1)N)C

InChI

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

InChIKey

GQOMNROUYXDZGL-UHFFFAOYSA-N

Compound name

8-amino-2,4-dimethyl-1,4-benzoxazin-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
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]+	193.097146	140.7
[M+Na]+	215.079088	150.4
[M-H]-	191.082594	144.7
[M+NH4]+	210.123693	158.9
[M+K]+	231.053028	148.7
[M+H-H2O]+	175.087130	134.1
[M+HCOO]-	237.088071	160.7
[M+CH3COO]-	251.103721	187.3
[M+Na-2H]-	213.064536	146.9
[M]+	192.08932142	140.1
[M]-	192.09041858	140.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.