CID 74080

2-methyleneglutaronitrile

Structural Information

Molecular Formula

C₆H₆N₂

SMILES

C=C(CCC#N)C#N

InChI

InChI=1S/C6H6N2/c1-6(5-8)3-2-4-7/h1-3H2

InChIKey

NGCJVMZXRCLPRQ-UHFFFAOYSA-N

Compound name

2-methylidenepentanedinitrile

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 1217
Patents: 106.0531 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]+	107.06038	152.4
[M+Na]+	129.04232	160.1
[M+NH4]+	124.08692	153.2
[M+K]+	145.01626	150.2
[M-H]-	105.04582	141.4
[M+Na-2H]-	127.02777	150.9
[M]+	106.05255	149.0
[M]-	106.05365	149.0

Literature stripe

literature stripe

Patent stripe

patents stripe