CID 98365

54744-66-0

Structural Information

Molecular Formula

C₁₀H₈N₂O

SMILES

C1=CC=C2C(=C1)C(C(=O)N2)CC#N

InChI

InChI=1S/C10H8N2O/c11-6-5-8-7-3-1-2-4-9(7)12-10(8)13/h1-4,8H,5H2,(H,12,13)

InChIKey

HGYKSFCCBATMSI-UHFFFAOYSA-N

Compound name

2-(2-oxo-1,3-dihydroindol-3-yl)acetonitrile

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 3
References: 3
Patents: 172.06366 Da
Monoisotopic Mass: 0.5
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]+	173.07094	139.1
[M+Na]+	195.05288	150.6
[M+NH4]+	190.09748	144.1
[M+K]+	211.02682	142.6
[M-H]-	171.05638	132.9
[M+Na-2H]-	193.03833	141.4
[M]+	172.06311	138.0
[M]-	172.06421	138.0

Literature stripe

literature stripe

Patent stripe

patents stripe