CID 11412513

1-methyl-1h-indole-5-carbonitrile

Structural Information

Molecular Formula

C₁₀H₈N₂

SMILES

CN1C=CC2=C1C=CC(=C2)C#N

InChI

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

InChIKey

DYZZFEHAJOLDEX-UHFFFAOYSA-N

Compound name

1-methylindole-5-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 157
Patents: 156.06874 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]+	157.07602	133.1
[M+Na]+	179.05796	147.2
[M+NH4]+	174.10256	139.3
[M+K]+	195.03190	138.2
[M-H]-	155.06146	128.4
[M+Na-2H]-	177.04341	138.1
[M]+	156.06819	133.0
[M]-	156.06929	133.0

Literature stripe

literature stripe

Patent stripe

patents stripe