CID 107237

2-ethyl-2-methylsuccinonitrile

Structural Information

Molecular Formula

C₇H₁₀N₂

SMILES

CCC(C)(CC#N)C#N

InChI

InChI=1S/C7H10N2/c1-3-7(2,6-9)4-5-8/h3-4H2,1-2H3

InChIKey

DJZGLUQLFIHGPM-UHFFFAOYSA-N

Compound name

2-ethyl-2-methylbutanedinitrile

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 1
Patents: 122.0844 Da
Monoisotopic Mass: 0.9
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]+	123.091676	141.4
[M+Na]+	145.073618	150.4
[M-H]-	121.077124	144.0
[M+NH4]+	140.118223	156.4
[M+K]+	161.047558	149.7
[M+H-H2O]+	105.081660	127.8
[M+HCOO]-	167.082601	153.5
[M+CH3COO]-	181.098251	209.0
[M+Na-2H]-	143.059066	145.3
[M]+	122.08385142	134.3
[M]-	122.08494858	134.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe