CID 16244443

885278-80-8

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: 57
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	130.9
[M+Na]+	167.05796	141.7
[M-H]-	143.06146	132.2
[M+NH4]+	162.10256	151.0
[M+K]+	183.03190	136.0
[M+H-H2O]+	127.06600	118.4
[M+HCOO]-	189.06694	148.5
[M+CH3COO]-	203.08259	142.9
[M+Na-2H]-	165.04341	137.1
[M]+	144.06819	123.2
[M]-	144.06929	123.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe