CID 9287

Alpha-methyltryptamine

Structural Information

Molecular Formula

C₁₁H₁₄N₂

SMILES

CC(CC1=CNC2=CC=CC=C21)N

InChI

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

InChIKey

QSQQQURBVYWZKJ-UHFFFAOYSA-N

Compound name

1-(1H-indol-3-yl)propan-2-amine

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 67
References: 2169
Patents: 174.11569 Da
Monoisotopic Mass: 2.0
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	137.4
[M+Na]+	197.10491	145.9
[M-H]-	173.10841	139.3
[M+NH4]+	192.14951	158.3
[M+K]+	213.07885	141.7
[M+H-H2O]+	157.11295	131.2
[M+HCOO]-	219.11389	160.1
[M+CH3COO]-	233.12954	150.5
[M+Na-2H]-	195.09036	143.3
[M]+	174.11514	135.8
[M]-	174.11624	135.8

Literature stripe

literature stripe

Patent stripe

patents stripe