CID 54758

3-(2-aminobutyl)-6-fluoroindole hydrochloride

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

0
Patents

206.12193 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.12921 144.4
[M+Na]+ 229.11115 155.6
[M+NH4]+ 224.15575 152.3
[M+K]+ 245.08509 150.9
[M-H]- 205.11465 145.1
[M+Na-2H]- 227.09660 149.4
[M]+ 206.12138 145.9
[M]- 206.12248 145.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.