CID 28504

17380-18-6

Structural Information

Molecular Formula

C₁₀H₆N₂O

SMILES

C1=CC2=C(C=C1C#N)C(=CN2)C=O

InChI

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

InChIKey

NVBCFOQYDFKXJJ-UHFFFAOYSA-N

Compound name

3-formyl-1H-indole-5-carbonitrile

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 456
Patents: 170.04802 Da
Monoisotopic Mass: 1.4
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]+	171.05530	136.7
[M+Na]+	193.03724	149.9
[M+NH4]+	188.08184	141.8
[M+K]+	209.01118	141.5
[M-H]-	169.04074	130.8
[M+Na-2H]-	191.02269	140.6
[M]+	170.04747	136.1
[M]-	170.04857	136.1

Literature stripe

literature stripe

Patent stripe

patents stripe