CID 21907639

15861-23-1

Structural Information

Molecular Formula

C₉H₈N₂

SMILES

C1CNC2=C1C=C(C=C2)C#N

InChI

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

InChIKey

KBNWGVBBEPQFIZ-UHFFFAOYSA-N

Compound name

2,3-dihydro-1H-indole-5-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 171
Patents: 144.06874 Da
Monoisotopic Mass: 2.0
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]+	145.076016	130.9
[M+Na]+	167.057958	141.7
[M-H]-	143.061464	132.2
[M+NH4]+	162.102563	151.0
[M+K]+	183.031898	136.0
[M+H-H2O]+	127.066000	118.4
[M+HCOO]-	189.066941	148.5
[M+CH3COO]-	203.082591	142.9
[M+Na-2H]-	165.043406	137.1
[M]+	144.06819142	123.2
[M]-	144.06928858	123.2

Literature stripe

literature stripe

Patent stripe

patents stripe