CID 595719

1048343-51-6

Structural Information

Molecular Formula

C₁₁H₁₃FN₂

SMILES

CC1=C(C2=C(N1)C=CC(=C2)F)CCN

InChI

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

InChIKey

AXXQDWYYFLLDCG-UHFFFAOYSA-N

Compound name

2-(5-fluoro-2-methyl-1H-indol-3-yl)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 24
Patents: 192.10628 Da
Monoisotopic Mass: 1.9
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]+	193.11356	139.6
[M+Na]+	215.09550	151.8
[M+NH4]+	210.14010	147.9
[M+K]+	231.06944	146.6
[M-H]-	191.09900	140.6
[M+Na-2H]-	213.08095	145.0
[M]+	192.10573	141.4
[M]-	192.10683	141.4

Literature stripe

literature stripe

Patent stripe

patents stripe