CID 15576114

Indane-5-carbonitrile

Structural Information

Molecular Formula

C₁₀H₉N

SMILES

C1CC2=C(C1)C=C(C=C2)C#N

InChI

InChI=1S/C10H9N/c11-7-8-4-5-9-2-1-3-10(9)6-8/h4-6H,1-3H2

InChIKey

LJOVFJHPHSEXLW-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 49
Patents: 143.0735 Da
Monoisotopic Mass: 2.5
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]+	144.08078	132.7
[M+Na]+	166.06272	145.0
[M+NH4]+	161.10732	139.5
[M+K]+	182.03666	135.9
[M-H]-	142.06622	128.4
[M+Na-2H]-	164.04817	136.7
[M]+	143.07295	132.4
[M]-	143.07405	132.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe