CID 88721

N,n-dimethyl-1h-indole-1-propylamine

Structural Information

Molecular Formula

C₁₃H₁₈N₂

SMILES

CN(C)CCCN1C=CC2=CC=CC=C21

InChI

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

InChIKey

VZQZKEYQPBNATK-UHFFFAOYSA-N

Compound name

3-indol-1-yl-N,N-dimethylpropan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 29
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]+	203.15428	145.9
[M+Na]+	225.13622	154.2
[M-H]-	201.13972	150.6
[M+NH4]+	220.18082	167.3
[M+K]+	241.11016	151.7
[M+H-H2O]+	185.14426	138.6
[M+HCOO]-	247.14520	171.5
[M+CH3COO]-	261.16085	192.6
[M+Na-2H]-	223.12167	152.5
[M]+	202.14645	149.7
[M]-	202.14755	149.7

Literature stripe

literature stripe

Patent stripe

patents stripe