CID 21163

5,6-dihydroxytryptamine

Structural Information

Molecular Formula

C₁₀H₁₂N₂O₂

SMILES

C1=C2C(=CC(=C1O)O)NC=C2CCN

InChI

InChI=1S/C10H12N2O2/c11-2-1-6-5-12-8-4-10(14)9(13)3-7(6)8/h3-5,12-14H,1-2,11H2

InChIKey

SKOKLDQYOKPCPU-UHFFFAOYSA-N

Compound name

3-(2-aminoethyl)-1H-indole-5,6-diol

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 378
References: 76
Patents: 192.08987 Da
Monoisotopic Mass: -0.1
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]+	193.097146	139.1
[M+Na]+	215.079088	149.0
[M-H]-	191.082594	139.0
[M+NH4]+	210.123693	158.3
[M+K]+	231.053028	143.9
[M+H-H2O]+	175.087130	133.6
[M+HCOO]-	237.088071	160.4
[M+CH3COO]-	251.103721	178.6
[M+Na-2H]-	213.064536	144.4
[M]+	192.08932142	137.7
[M]-	192.09041858	137.7

Literature stripe

literature stripe

Patent stripe

patents stripe