CID 54758

81603-64-7

Structural Information

Molecular Formula

C₁₂H₁₅FN₂

SMILES

CCC(CC1=CNC2=C1C=CC(=C2)F)N

InChI

InChI=1S/C12H15FN2/c1-2-10(14)5-8-7-15-12-6-9(13)3-4-11(8)12/h3-4,6-7,10,15H,2,5,14H2,1H3

InChIKey

WGHHHKLNAFDDGN-UHFFFAOYSA-N

Compound name

1-(6-fluoro-1H-indol-3-yl)butan-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 206.12193 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]+	207.129206	144.6
[M+Na]+	229.111148	153.5
[M-H]-	205.114654	145.2
[M+NH4]+	224.155753	164.4
[M+K]+	245.085088	148.6
[M+H-H2O]+	189.119190	137.4
[M+HCOO]-	251.120131	165.9
[M+CH3COO]-	265.135781	187.5
[M+Na-2H]-	227.096596	148.6
[M]+	206.12138142	142.6
[M]-	206.12247858	142.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe