CID 17221100

46054-15-3

Structural Information

Molecular Formula

C₁₀H₁₂N₂

SMILES

C1=CC(=CC2=C1C=CN2)CCN

InChI

InChI=1S/C10H12N2/c11-5-3-8-1-2-9-4-6-12-10(9)7-8/h1-2,4,6-7,12H,3,5,11H2

InChIKey

IBXWKQVHECMCRW-UHFFFAOYSA-N

Compound name

2-(1H-indol-6-yl)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 71
Patents: 160.10005 Da
Monoisotopic Mass: 2.3
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]+	161.107326	131.8
[M+Na]+	183.089268	141.0
[M-H]-	159.092774	133.7
[M+NH4]+	178.133873	153.3
[M+K]+	199.063208	136.5
[M+H-H2O]+	143.097310	125.7
[M+HCOO]-	205.098251	155.9
[M+CH3COO]-	219.113901	145.5
[M+Na-2H]-	181.074716	139.5
[M]+	160.09950142	130.5
[M]-	160.10059858	130.5

Literature stripe

literature stripe

Patent stripe

patents stripe