CID 4738501

4-amino-6-fluoro-2-methylquinoline

Structural Information

Molecular Formula

C₁₀H₉FN₂

SMILES

CC1=CC(=C2C=C(C=CC2=N1)F)N

InChI

InChI=1S/C10H9FN2/c1-6-4-9(12)8-5-7(11)2-3-10(8)13-6/h2-5H,1H3,(H2,12,13)

InChIKey

PTJKTKQKAHCGDF-UHFFFAOYSA-N

Compound name

6-fluoro-2-methylquinolin-4-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 176.07498 Da
Monoisotopic Mass: 2.0
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]+	177.08226	134.3
[M+Na]+	199.06420	148.4
[M+NH4]+	194.10880	143.4
[M+K]+	215.03814	141.0
[M-H]-	175.06770	136.7
[M+Na-2H]-	197.04965	141.7
[M]+	176.07443	136.9
[M]-	176.07553	136.9

Literature stripe

literature stripe

Patent stripe

patents stripe