CID 6088

N-methyltryptamine

Structural Information

Molecular Formula

C₁₁H₁₄N₂

SMILES

CNCCC1=CNC2=CC=CC=C21

InChI

InChI=1S/C11H14N2/c1-12-7-6-9-8-13-11-5-3-2-4-10(9)11/h2-5,8,12-13H,6-7H2,1H3

InChIKey

NCIKQJBVUNUXLW-UHFFFAOYSA-N

Compound name

2-(1H-indol-3-yl)-N-methylethanamine

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 37
References: 1214
Patents: 174.11569 Da
Monoisotopic Mass: 2.1
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]+	175.12297	136.8
[M+Na]+	197.10491	149.6
[M+NH4]+	192.14951	146.1
[M+K]+	213.07885	143.7
[M-H]-	173.10841	139.5
[M+Na-2H]-	195.09036	144.0
[M]+	174.11514	139.3
[M]-	174.11624	139.3

Literature stripe

literature stripe

Patent stripe

patents stripe