CID 139485764

Schembl21353145

Structural Information

Molecular Formula

C₉H₁₁BrN₂O

SMILES

CC1(CNC2=C(O1)N=CC(=C2)Br)C

InChI

InChI=1S/C9H11BrN2O/c1-9(2)5-12-7-3-6(10)4-11-8(7)13-9/h3-4,12H,5H2,1-2H3

InChIKey

JEBNSZCEYNIWSB-UHFFFAOYSA-N

Compound name

7-bromo-3,3-dimethyl-1,2-dihydropyrido[2,3-b][1,4]oxazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 242.00548 Da
Monoisotopic Mass: 2.2
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]+	243.01276	143.2
[M+Na]+	264.99470	155.4
[M-H]-	240.99820	147.3
[M+NH4]+	260.03930	163.2
[M+K]+	280.96864	145.2
[M+H-H2O]+	225.00274	143.2
[M+HCOO]-	287.00368	158.0
[M+CH3COO]-	301.01933	157.4
[M+Na-2H]-	262.98015	153.4
[M]+	242.00493	160.4
[M]-	242.00603	160.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe