CID 2776405

154264-95-6

Structural Information

Molecular Formula

C₉H₁₀BrNO

SMILES

CN1CCOC2=C1C=CC(=C2)Br

InChI

InChI=1S/C9H10BrNO/c1-11-4-5-12-9-6-7(10)2-3-8(9)11/h2-3,6H,4-5H2,1H3

InChIKey

MQMFOFZKZBLSAB-UHFFFAOYSA-N

Compound name

7-bromo-4-methyl-2,3-dihydro-1,4-benzoxazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 137
Patents: 226.99458 Da
Monoisotopic Mass: 2.5
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]+	228.00186	138.9
[M+Na]+	249.98380	143.7
[M+NH4]+	245.02840	144.9
[M+K]+	265.95774	143.1
[M-H]-	225.98730	141.3
[M+Na-2H]-	247.96925	142.3
[M]+	226.99403	139.2
[M]-	226.99513	139.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe