CID 152151

Serotonin o-sulfate

Structural Information

Molecular Formula

C₁₀H₁₂N₂O₄S

SMILES

C1=CC2=C(C=C1OS(=O)(=O)O)C(=CN2)CCN

InChI

InChI=1S/C10H12N2O4S/c11-4-3-7-6-12-10-2-1-8(5-9(7)10)16-17(13,14)15/h1-2,5-6,12H,3-4,11H2,(H,13,14,15)

InChIKey

JFWYSGGSCOOBGK-UHFFFAOYSA-N

Compound name

[3-(2-aminoethyl)-1H-indol-5-yl] hydrogen sulfate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 12
References: 183
Patents: 256.0518 Da
Monoisotopic Mass: -2.7
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]+	257.05908	152.7
[M+Na]+	279.04102	162.7
[M-H]-	255.04452	153.8
[M+NH4]+	274.08562	170.1
[M+K]+	295.01496	158.1
[M+H-H2O]+	239.04906	147.4
[M+HCOO]-	301.05000	169.5
[M+CH3COO]-	315.06565	186.8
[M+Na-2H]-	277.02647	157.6
[M]+	256.05125	156.0
[M]-	256.05235	156.0

Literature stripe

literature stripe

Patent stripe

patents stripe