CID 55254757

46007-12-9

Structural Information

Molecular Formula

C₁₀H₁₂N₂

SMILES

C1=CC2=C(C(=C1)CCN)NC=C2

InChI

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

InChIKey

JRWUXZQPAULKLR-UHFFFAOYSA-N

Compound name

2-(1H-indol-7-yl)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 18
Patents: 160.10005 Da
Monoisotopic Mass: 1.5
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]+	161.10733	131.8
[M+Na]+	183.08927	141.0
[M-H]-	159.09277	133.7
[M+NH4]+	178.13387	153.3
[M+K]+	199.06321	136.5
[M+H-H2O]+	143.09731	125.7
[M+HCOO]-	205.09825	155.9
[M+CH3COO]-	219.11390	145.5
[M+Na-2H]-	181.07472	139.5
[M]+	160.09950	130.5
[M]-	160.10060	130.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe