CID 52906

74039-00-2

Structural Information

Molecular Formula

C₁₄H₂₀N₂

SMILES

CN(C)CCCCC1=CNC2=CC=CC=C21

InChI

InChI=1S/C14H20N2/c1-16(2)10-6-5-7-12-11-15-14-9-4-3-8-13(12)14/h3-4,8-9,11,15H,5-7,10H2,1-2H3

InChIKey

YPDXKHLNRKOHAC-UHFFFAOYSA-N

Compound name

4-(1H-indol-3-yl)-N,N-dimethylbutan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 216.16264 Da
Monoisotopic Mass: 3.2
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]+	217.16992	150.5
[M+Na]+	239.15186	162.9
[M+NH4]+	234.19646	159.6
[M+K]+	255.12580	156.8
[M-H]-	215.15536	153.4
[M+Na-2H]-	237.13731	157.1
[M]+	216.16209	153.1
[M]-	216.16319	153.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.