CID 150885

N-methylserotonin

Structural Information

Molecular Formula

C₁₁H₁₄N₂O

SMILES

CNCCC1=CNC2=C1C=C(C=C2)O

InChI

InChI=1S/C11H14N2O/c1-12-5-4-8-7-13-11-3-2-9(14)6-10(8)11/h2-3,6-7,12-14H,4-5H2,1H3

InChIKey

ASUSBMNYRHGZIG-UHFFFAOYSA-N

Compound name

3-[2-(methylamino)ethyl]-1H-indol-5-ol

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 43
References: 449
Patents: 190.11061 Da
Monoisotopic Mass: 0.7
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]+	191.117886	139.7
[M+Na]+	213.099828	148.8
[M-H]-	189.103334	140.9
[M+NH4]+	208.144433	159.7
[M+K]+	229.073768	144.1
[M+H-H2O]+	173.107870	133.6
[M+HCOO]-	235.108811	162.7
[M+CH3COO]-	249.124461	181.2
[M+Na-2H]-	211.085276	146.6
[M]+	190.11006142	139.6
[M]-	190.11115858	139.6

Literature stripe

literature stripe

Patent stripe

patents stripe