CID 22034199

5-isocyano-2,3-dihydro-1h-indene

Structural Information

Molecular Formula

C₁₀H₉N

SMILES

[C-]#[N+]C1=CC2=C(CCC2)C=C1

InChI

InChI=1S/C10H9N/c1-11-10-6-5-8-3-2-4-9(8)7-10/h5-7H,2-4H2

InChIKey

OFNRCKGXVSGOLS-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
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	131.9
[M+Na]+	166.06272	145.6
[M+NH4]+	161.10732	139.3
[M+K]+	182.03666	137.9
[M-H]-	142.06622	128.7
[M+Na-2H]-	164.04817	135.9
[M]+	143.07295	132.2
[M]-	143.07405	132.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe