CID 5202

Serotonin

Structural Information

Molecular Formula

C₁₀H₁₂N₂O

SMILES

C1=CC2=C(C=C1O)C(=CN2)CCN

InChI

InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2

InChIKey

QZAYGJVTTNCVMB-UHFFFAOYSA-N

Compound name

3-(2-aminoethyl)-1H-indol-5-ol

Related CIDs

2D Structure

compound 2d structure

9
Annotation Hits: 104894
References: 30895
Patents: 176.09496 Da
Monoisotopic Mass: 0.2
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]+	177.10224	135.5
[M+Na]+	199.08418	145.1
[M-H]-	175.08768	136.4
[M+NH4]+	194.12878	155.9
[M+K]+	215.05812	140.3
[M+H-H2O]+	159.09222	129.7
[M+HCOO]-	221.09316	158.2
[M+CH3COO]-	235.10881	177.5
[M+Na-2H]-	197.06963	142.0
[M]+	176.09441	134.1
[M]-	176.09551	134.1

Literature stripe

literature stripe

Patent stripe

patents stripe