CID 10654720

1-methylindole-3-acetonitrile

Structural Information

Molecular Formula

C₁₁H₁₀N₂

SMILES

CN1C=C(C2=CC=CC=C21)CC#N

InChI

InChI=1S/C11H10N2/c1-13-8-9(6-7-12)10-4-2-3-5-11(10)13/h2-5,8H,6H2,1H3

InChIKey

DHAXZZYQEUESTH-UHFFFAOYSA-N

Compound name

2-(1-methylindol-3-yl)acetonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 45
Patents: 170.0844 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]+	171.09168	137.2
[M+Na]+	193.07362	151.1
[M+NH4]+	188.11822	143.3
[M+K]+	209.04756	141.9
[M-H]-	169.07712	132.5
[M+Na-2H]-	191.05907	142.0
[M]+	170.08385	137.2
[M]-	170.08495	137.2

Literature stripe

literature stripe

Patent stripe

patents stripe