CID 44720788

Refchem:420068

Structural Information

Molecular Formula

C₁₄H₂₀N₂

SMILES

CCCCC(CC1=CNC2=CC=CC=C21)N

InChI

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

InChIKey

LVDFMEDWJMVBPG-UHFFFAOYSA-N

Compound name

1-(1H-indol-3-yl)hexan-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 47
Patents: 216.16264 Da
Monoisotopic Mass: 3.4
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	151.4
[M+Na]+	239.15186	158.4
[M-H]-	215.15536	152.6
[M+NH4]+	234.19646	170.5
[M+K]+	255.12580	153.5
[M+H-H2O]+	199.15990	144.5
[M+HCOO]-	261.16084	173.0
[M+CH3COO]-	275.17649	189.7
[M+Na-2H]-	237.13731	155.6
[M]+	216.16209	150.8
[M]-	216.16319	150.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe