CID 16244443

Indoline-4-carbonitrile

Structural Information

Molecular Formula

C₉H₈N₂

SMILES

C1CNC2=CC=CC(=C21)C#N

InChI

InChI=1S/C9H8N2/c10-6-7-2-1-3-9-8(7)4-5-11-9/h1-3,11H,4-5H2

InChIKey

QRRLRJLHVTVIEF-UHFFFAOYSA-N

Compound name

2,3-dihydro-1H-indole-4-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 52
Patents: 144.06874 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]+	145.07602	133.3
[M+Na]+	167.05796	145.1
[M+NH4]+	162.10256	139.2
[M+K]+	183.03190	136.7
[M-H]-	143.06146	127.7
[M+Na-2H]-	165.04341	136.5
[M]+	144.06819	132.5
[M]-	144.06929	132.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe