CID 11116472

(e)-2-(2-oxoindolin-3-ylidene)acetonitrile

Structural Information

Molecular Formula

C₁₀H₆N₂O

SMILES

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

InChI

InChI=1S/C10H6N2O/c11-6-5-8-7-3-1-2-4-9(7)12-10(8)13/h1-5H,(H,12,13)/b8-5+

InChIKey

YLSUPMWMHFXGHW-VMPITWQZSA-N

Compound name

(2E)-2-(2-oxo-1H-indol-3-ylidene)acetonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 2
Patents: 170.04802 Da
Monoisotopic Mass: 0.8
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]+	171.05530	139.3
[M+Na]+	193.03724	150.9
[M+NH4]+	188.08184	144.0
[M+K]+	209.01118	142.7
[M-H]-	169.04074	132.8
[M+Na-2H]-	191.02269	141.4
[M]+	170.04747	138.1
[M]-	170.04857	138.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.