CID 15565768

(e)-3-(1h-indol-3-yl)acrylonitrile

Structural Information

Molecular Formula

C₁₁H₈N₂

SMILES

C1=CC=C2C(=C1)C(=CN2)/C=C/C#N

InChI

InChI=1S/C11H8N2/c12-7-3-4-9-8-13-11-6-2-1-5-10(9)11/h1-6,8,13H/b4-3+

InChIKey

GQCABHQDRZQIOP-ONEGZZNKSA-N

Compound name

(E)-3-(1H-indol-3-yl)prop-2-enenitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 5
Patents: 168.06874 Da
Monoisotopic Mass: 2.4
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]+	169.076016	139.4
[M+Na]+	191.057958	151.4
[M-H]-	167.061464	140.8
[M+NH4]+	186.102563	158.6
[M+K]+	207.031898	144.4
[M+H-H2O]+	151.066000	126.4
[M+HCOO]-	213.066941	159.0
[M+CH3COO]-	227.082591	151.4
[M+Na-2H]-	189.043406	145.9
[M]+	168.06819142	134.0
[M]-	168.06928858	134.0

Literature stripe

literature stripe

Patent stripe

patents stripe