CID 6452095

Ns00125732

Structural Information

Molecular Formula

C₁₁H₁₄N₂

SMILES

CC(CN)C1=CNC2=CC=CC=C21

InChI

InChI=1S/C11H14N2/c1-8(6-12)10-7-13-11-5-3-2-4-9(10)11/h2-5,7-8,13H,6,12H2,1H3

InChIKey

UNUICNBHOJTXMS-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 108
Patents: 174.11569 Da
Monoisotopic Mass: 1.9
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]+	175.122966	137.4
[M+Na]+	197.104908	145.9
[M-H]-	173.108414	139.3
[M+NH4]+	192.149513	158.3
[M+K]+	213.078848	141.7
[M+H-H2O]+	157.112950	131.2
[M+HCOO]-	219.113891	160.1
[M+CH3COO]-	233.129541	150.5
[M+Na-2H]-	195.090356	143.3
[M]+	174.11514142	135.8
[M]-	174.11623858	135.8

Literature stripe

literature stripe

Patent stripe

patents stripe