CID 54594690

2-(6-fluoro-1-methyl-1h-indol-3-yl)ethan-1-amine hydrochloride

Structural Information

Molecular Formula

C₁₁H₁₃FN₂

SMILES

CN1C=C(C2=C1C=C(C=C2)F)CCN

InChI

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

InChIKey

QAGABUCNXSEZHV-UHFFFAOYSA-N

Compound name

2-(6-fluoro-1-methylindol-3-yl)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 33
Patents: 192.10628 Da
Monoisotopic Mass: 1.4
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	139.0
[M+Na]+	215.095498	150.1
[M-H]-	191.099004	141.5
[M+NH4]+	210.140103	160.5
[M+K]+	231.069438	145.8
[M+H-H2O]+	175.103540	131.9
[M+HCOO]-	237.104481	163.1
[M+CH3COO]-	251.120131	187.4
[M+Na-2H]-	213.080946	144.5
[M]+	192.10573142	139.5
[M]-	192.10682858	139.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe