CID 50999317

1159825-57-6

Structural Information

Molecular Formula

C₉H₈N₂

SMILES

C1C2=C(CN1)C(=CC=C2)C#N

InChI

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

InChIKey

ZKANZNPZUIQXGN-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 53
Patents: 144.06874 Da
Monoisotopic Mass: 0.6
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