CID 45599395

4-amino-7-bromo-6-methylquinoline

Structural Information

Molecular Formula

C₁₀H₉BrN₂

SMILES

CC1=CC2=C(C=CN=C2C=C1Br)N

InChI

InChI=1S/C10H9BrN2/c1-6-4-7-9(12)2-3-13-10(7)5-8(6)11/h2-5H,1H3,(H2,12,13)

InChIKey

RDSQHDLOMWDIFA-UHFFFAOYSA-N

Compound name

7-bromo-6-methylquinolin-4-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 235.9949 Da
Monoisotopic Mass: 2.6
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]+	237.002176	142.3
[M+Na]+	258.984118	155.3
[M-H]-	234.987624	148.3
[M+NH4]+	254.028723	163.5
[M+K]+	274.958058	143.2
[M+H-H2O]+	218.992160	141.7
[M+HCOO]-	280.993101	163.0
[M+CH3COO]-	295.008751	157.5
[M+Na-2H]-	256.969566	151.2
[M]+	235.99435142	159.9
[M]-	235.99544858	159.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe