CID 10607395

10514-70-2

Structural Information

Molecular Formula

C₁₀H₁₁NO₂

SMILES

CC1(C(=O)NC2=CC=CC=C2O1)C

InChI

InChI=1S/C10H11NO2/c1-10(2)9(12)11-7-5-3-4-6-8(7)13-10/h3-6H,1-2H3,(H,11,12)

InChIKey

LJRUKUQEIHJTEL-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 240
Patents: 177.07898 Da
Monoisotopic Mass: 1.5
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]+	178.086256	135.4
[M+Na]+	200.068198	144.6
[M-H]-	176.071704	138.3
[M+NH4]+	195.112803	155.6
[M+K]+	216.042138	142.8
[M+H-H2O]+	160.076240	129.6
[M+HCOO]-	222.077181	153.6
[M+CH3COO]-	236.092831	177.5
[M+Na-2H]-	198.053646	144.4
[M]+	177.07843142	134.2
[M]-	177.07952858	134.2

Literature stripe

literature stripe

Patent stripe

patents stripe