CID 45605

3-(2-(n-propylamino)ethyl)indole monohydrochloride

Structural Information

Molecular Formula

C₁₃H₁₈N₂

SMILES

CCCNCCC1=CNC2=CC=CC=C21

InChI

InChI=1S/C13H18N2/c1-2-8-14-9-7-11-10-15-13-6-4-3-5-12(11)13/h3-6,10,14-15H,2,7-9H2,1H3

InChIKey

KBFBIAGUZWNRFI-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 34
Patents: 202.147 Da
Monoisotopic Mass: 3.0
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]+	203.154276	145.3
[M+Na]+	225.136218	153.1
[M-H]-	201.139724	147.1
[M+NH4]+	220.180823	165.3
[M+K]+	241.110158	148.3
[M+H-H2O]+	185.144260	138.5
[M+HCOO]-	247.145201	168.9
[M+CH3COO]-	261.160851	186.5
[M+Na-2H]-	223.121666	152.3
[M]+	202.14645142	146.0
[M]-	202.14754858	146.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe