CID 26714

7-methyltryptamine

Structural Information

Molecular Formula

C₁₁H₁₄N₂

SMILES

CC1=C2C(=CC=C1)C(=CN2)CCN

InChI

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

InChIKey

SGGBZKQTWMKXHD-UHFFFAOYSA-N

Compound name

2-(7-methyl-1H-indol-3-yl)ethanamine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 14
References: 158
Patents: 174.11569 Da
Monoisotopic Mass: 1.7
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]+	175.12297	136.7
[M+Na]+	197.10491	149.6
[M+NH4]+	192.14951	145.8
[M+K]+	213.07885	144.1
[M-H]-	173.10841	139.3
[M+Na-2H]-	195.09036	143.2
[M]+	174.11514	139.2
[M]-	174.11624	139.2

Literature stripe

literature stripe

Patent stripe

patents stripe