CID 134820067

Dehydro(indole-3-yl)acetonitrile

Structural Information

Molecular Formula

C₁₀H₆N₂

SMILES

C1=CC=C2C(=C1)/C(=C/C#N)/C=N2

InChI

InChI=1S/C10H6N2/c11-6-5-8-7-12-10-4-2-1-3-9(8)10/h1-5,7H/b8-5+

InChIKey

POAVPLAOCHOOPK-VMPITWQZSA-N

Compound name

(2Z)-2-indol-3-ylideneacetonitrile

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 0
Patents: 154.0531 Da
Monoisotopic Mass: 1.0
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]+	155.06038	135.6
[M+Na]+	177.04232	148.6
[M+NH4]+	172.08692	141.5
[M+K]+	193.01626	139.4
[M-H]-	153.04582	130.4
[M+Na-2H]-	175.02777	139.8
[M]+	154.05255	135.2
[M]-	154.05365	135.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.