CID 67114267

144537-21-3

Structural Information

Molecular Formula

C₁₁H₁₃NO₂

SMILES

CC1(CNC(=O)C2=CC=CC=C2O1)C

InChI

InChI=1S/C11H13NO2/c1-11(2)7-12-10(13)8-5-3-4-6-9(8)14-11/h3-6H,7H2,1-2H3,(H,12,13)

InChIKey

CZJOWQDUADJYAV-UHFFFAOYSA-N

Compound name

2,2-dimethyl-3,4-dihydro-1,4-benzoxazepin-5-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
Patents: 191.09464 Da
Monoisotopic Mass: 1.6
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]+	192.101916	136.5
[M+Na]+	214.083858	143.7
[M-H]-	190.087364	140.5
[M+NH4]+	209.128463	154.9
[M+K]+	230.057798	145.4
[M+H-H2O]+	174.091900	131.2
[M+HCOO]-	236.092841	153.9
[M+CH3COO]-	250.108491	149.0
[M+Na-2H]-	212.069306	144.6
[M]+	191.09409142	132.6
[M]-	191.09518858	132.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe