CID 12978088

[3h]tryptamine

Structural Information

Molecular Formula

C₁₀H₁₂N₂

SMILES

C1=CC=C2C(=C1)C(C=N2)CCN

InChI

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

InChIKey

GNGZFLIWRWXIRK-UHFFFAOYSA-N

Compound name

2-(3H-indol-3-yl)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 122
Patents: 160.10005 Da
Monoisotopic Mass: 0.5
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	132.7
[M+Na]+	183.08927	141.2
[M-H]-	159.09277	135.6
[M+NH4]+	178.13387	154.8
[M+K]+	199.06321	137.9
[M+H-H2O]+	143.09731	126.2
[M+HCOO]-	205.09825	156.8
[M+CH3COO]-	219.11390	146.5
[M+Na-2H]-	181.07472	139.8
[M]+	160.09950	131.7
[M]-	160.10060	131.7

Literature stripe

literature stripe

Patent stripe

patents stripe