CID 254950

2,5-dimethyltryptamine

Structural Information

Molecular Formula

C₁₂H₁₆N₂

SMILES

CC1=CC2=C(C=C1)NC(=C2CCN)C

InChI

InChI=1S/C12H16N2/c1-8-3-4-12-11(7-8)10(5-6-13)9(2)14-12/h3-4,7,14H,5-6,13H2,1-2H3

InChIKey

CMDMWYFWSISWBT-UHFFFAOYSA-N

Compound name

2-(2,5-dimethyl-1H-indol-3-yl)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 26
Patents: 188.13135 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]+	189.13863	141.2
[M+Na]+	211.12057	154.3
[M+NH4]+	206.16517	150.2
[M+K]+	227.09451	148.8
[M-H]-	187.12407	143.9
[M+Na-2H]-	209.10602	147.2
[M]+	188.13080	143.8
[M]-	188.13190	143.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe