CID 71742729

1267095-78-2

Structural Information

Molecular Formula

C₉H₁₀BrNO

SMILES

CC1CNC2=C(O1)C(=CC=C2)Br

InChI

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

InChIKey

YGRVNMAXPWMNPW-UHFFFAOYSA-N

Compound name

8-bromo-2-methyl-3,4-dihydro-2H-1,4-benzoxazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 226.99458 Da
Monoisotopic Mass: 2.8
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]+	228.00186	140.0
[M+Na]+	249.98380	144.2
[M+NH4]+	245.02840	145.6
[M+K]+	265.95774	143.9
[M-H]-	225.98730	141.9
[M+Na-2H]-	247.96925	142.7
[M]+	226.99403	140.0
[M]-	226.99513	140.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe