CID 45582

N-butyltryptamine hydrochloride

Structural Information

Molecular Formula

C₁₄H₂₀N₂

SMILES

CCCCNCCC1=CNC2=CC=CC=C21

InChI

InChI=1S/C14H20N2/c1-2-3-9-15-10-8-12-11-16-14-7-5-4-6-13(12)14/h4-7,11,15-16H,2-3,8-10H2,1H3

InChIKey

SYJRXRVYSQCOCF-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 22
Patents: 216.16264 Da
Monoisotopic Mass: 3.3
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]+	217.169916	149.9
[M+Na]+	239.151858	157.3
[M-H]-	215.155364	151.5
[M+NH4]+	234.196463	169.4
[M+K]+	255.125798	152.2
[M+H-H2O]+	199.159900	142.9
[M+HCOO]-	261.160841	173.2
[M+CH3COO]-	275.176491	189.5
[M+Na-2H]-	237.137306	156.4
[M]+	216.16209142	150.9
[M]-	216.16318858	150.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe