CID 95498

2,4-dicyano-3-methylglutaramide

Structural Information

Molecular Formula

C₈H₁₀N₄O₂

SMILES

CC(C(C#N)C(=O)N)C(C#N)C(=O)N

InChI

InChI=1S/C8H10N4O2/c1-4(5(2-9)7(11)13)6(3-10)8(12)14/h4-6H,1H3,(H2,11,13)(H2,12,14)

InChIKey

XLQBCZSOEGHLAA-UHFFFAOYSA-N

Compound name

2,4-dicyano-3-methylpentanediamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 9
Patents: 194.08037 Da
Monoisotopic Mass: -1.3
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]+	195.08765	171.5
[M+Na]+	217.06959	175.5
[M+NH4]+	212.11419	170.0
[M+K]+	233.04353	168.4
[M-H]-	193.07309	159.2
[M+Na-2H]-	215.05504	166.8
[M]+	194.07982	166.9
[M]-	194.08092	166.9

Literature stripe

literature stripe

Patent stripe

patents stripe