CID 17278

Malononitrile, (2-indanylidene)-

Structural Information

Molecular Formula

C₁₂H₈N₂

SMILES

C1C(=C(C#N)C#N)CC2=CC=CC=C21

InChI

InChI=1S/C12H8N2/c13-7-12(8-14)11-5-9-3-1-2-4-10(9)6-11/h1-4H,5-6H2

InChIKey

DNONJLXXOZWTCK-UHFFFAOYSA-N

Compound name

2-(1,3-dihydroinden-2-ylidene)propanedinitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 180.06874 Da
Monoisotopic Mass: 1.9
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]+	181.076016	158.7
[M+Na]+	203.057958	169.7
[M-H]-	179.061464	162.4
[M+NH4]+	198.102563	173.7
[M+K]+	219.031898	162.1
[M+H-H2O]+	163.066000	143.7
[M+HCOO]-	225.066941	170.3
[M+CH3COO]-	239.082591	166.4
[M+Na-2H]-	201.043406	159.9
[M]+	180.06819142	149.2
[M]-	180.06928858	149.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe