CID 59418738

6-bromo-1-methyl-1,2,3,4-tetrahydroquinoxaline

Structural Information

Molecular Formula

C₉H₁₁BrN₂

SMILES

CN1CCNC2=C1C=CC(=C2)Br

InChI

InChI=1S/C9H11BrN2/c1-12-5-4-11-8-6-7(10)2-3-9(8)12/h2-3,6,11H,4-5H2,1H3

InChIKey

DXGACWBAFPNXOZ-UHFFFAOYSA-N

Compound name

7-bromo-4-methyl-2,3-dihydro-1H-quinoxaline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 40
Patents: 226.01056 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]+	227.017836	141.5
[M+Na]+	248.999778	152.8
[M-H]-	225.003284	144.6
[M+NH4]+	244.044383	161.4
[M+K]+	264.973718	140.9
[M+H-H2O]+	209.007820	141.2
[M+HCOO]-	271.008761	157.0
[M+CH3COO]-	285.024411	155.3
[M+Na-2H]-	246.985226	150.0
[M]+	226.01001142	156.3
[M]-	226.01110858	156.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe