CID 13676231

104351-15-7

Structural Information

Molecular Formula

C₁₂H₁₅NO₂

SMILES

CC(C)(C)C1C(=O)NC2=CC=CC=C2O1

InChI

InChI=1S/C12H15NO2/c1-12(2,3)10-11(14)13-8-6-4-5-7-9(8)15-10/h4-7,10H,1-3H3,(H,13,14)

InChIKey

IDVSMRWTSJNUPN-UHFFFAOYSA-N

Compound name

2-tert-butyl-4H-1,4-benzoxazin-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 205.11028 Da
Monoisotopic Mass: 2.6
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]+	206.11756	145.5
[M+Na]+	228.09950	153.4
[M-H]-	204.10300	148.0
[M+NH4]+	223.14410	162.7
[M+K]+	244.07344	151.3
[M+H-H2O]+	188.10754	139.6
[M+HCOO]-	250.10848	161.5
[M+CH3COO]-	264.12413	183.8
[M+Na-2H]-	226.08495	153.2
[M]+	205.10973	144.1
[M]-	205.11083	144.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe