CID 22391592

1-methyl-1h-indole-4-carbonitrile

Structural Information

Molecular Formula

C₁₀H₈N₂

SMILES

CN1C=CC2=C(C=CC=C21)C#N

InChI

InChI=1S/C10H8N2/c1-12-6-5-9-8(7-11)3-2-4-10(9)12/h2-6H,1H3

InChIKey

DYOVHBKIEBCIIE-UHFFFAOYSA-N

Compound name

1-methylindole-4-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 50
Patents: 156.06874 Da
Monoisotopic Mass: 1.7
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]+	157.07602	133.1
[M+Na]+	179.05796	146.4
[M-H]-	155.06146	136.3
[M+NH4]+	174.10256	153.8
[M+K]+	195.03190	141.1
[M+H-H2O]+	139.06600	120.4
[M+HCOO]-	201.06694	154.3
[M+CH3COO]-	215.08259	146.6
[M+Na-2H]-	177.04341	140.2
[M]+	156.06819	130.2
[M]-	156.06929	130.2

Literature stripe

literature stripe

Patent stripe

patents stripe