CID 12834

5-fluoro-alpha-methyltryptamine

Structural Information

Molecular Formula

C₁₁H₁₃FN₂

SMILES

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

InChI

InChI=1S/C11H13FN2/c1-7(13)4-8-6-14-11-3-2-9(12)5-10(8)11/h2-3,5-7,14H,4,13H2,1H3

InChIKey

CTGFDWBZMCPVED-UHFFFAOYSA-N

Compound name

1-(5-fluoro-1H-indol-3-yl)propan-2-amine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 8
References: 162
Patents: 192.10628 Da
Monoisotopic Mass: 1.1
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]+	193.113556	139.9
[M+Na]+	215.095498	149.3
[M-H]-	191.099004	140.7
[M+NH4]+	210.140103	160.3
[M+K]+	231.069438	144.6
[M+H-H2O]+	175.103540	132.9
[M+HCOO]-	237.104481	161.5
[M+CH3COO]-	251.120131	184.5
[M+Na-2H]-	213.080946	144.4
[M]+	192.10573142	137.6
[M]-	192.10682858	137.6

Literature stripe

literature stripe

Patent stripe

patents stripe