CID 14041713

3-(2-aminoethyl)-1h-indole-4-carbonitrile

Structural Information

Molecular Formula

C₁₁H₁₁N₃

SMILES

C1=CC(=C2C(=C1)NC=C2CCN)C#N

InChI

InChI=1S/C11H11N3/c12-5-4-9-7-14-10-3-1-2-8(6-13)11(9)10/h1-3,7,14H,4-5,12H2

InChIKey

BXTHCYQBVALJSA-UHFFFAOYSA-N

Compound name

3-(2-aminoethyl)-1H-indole-4-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 185.09529 Da
Monoisotopic Mass: 1.1
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]+	186.10257	143.3
[M+Na]+	208.08451	155.2
[M+NH4]+	203.12911	148.3
[M+K]+	224.05845	146.7
[M-H]-	184.08801	138.1
[M+Na-2H]-	206.06996	146.6
[M]+	185.09474	142.6
[M]-	185.09584	142.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe