CID 41421

N-cyclopropyltryptamine hydrochloride

Structural Information

Molecular Formula

C₁₃H₁₆N₂

SMILES

C1CC1NCCC2=CNC3=CC=CC=C32

InChI

InChI=1S/C13H16N2/c1-2-4-13-12(3-1)10(9-15-13)7-8-14-11-5-6-11/h1-4,9,11,14-15H,5-8H2

InChIKey

VYIORSRXNBGASE-UHFFFAOYSA-N

Compound name

N-[2-(1H-indol-3-yl)ethyl]cyclopropanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 200.13135 Da
Monoisotopic Mass: 2.6
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]+	201.13863	140.9
[M+Na]+	223.12057	150.7
[M-H]-	199.12407	146.7
[M+NH4]+	218.16517	156.0
[M+K]+	239.09451	144.8
[M+H-H2O]+	183.12861	134.0
[M+HCOO]-	245.12955	165.0
[M+CH3COO]-	259.14520	153.7
[M+Na-2H]-	221.10602	148.5
[M]+	200.13080	142.7
[M]-	200.13190	142.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe