CID 98931

1135-62-2

Structural Information

Molecular Formula

C₁₀H₁₁N₃O₂

SMILES

CCC1(C(C(=O)NC(=O)C1C#N)C#N)C

InChI

InChI=1S/C10H11N3O2/c1-3-10(2)6(4-11)8(14)13-9(15)7(10)5-12/h6-7H,3H2,1-2H3,(H,13,14,15)

InChIKey

ISARNQWKABTJEY-UHFFFAOYSA-N

Compound name

4-ethyl-4-methyl-2,6-dioxopiperidine-3,5-dicarbonitrile

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 5
Patents: 205.08513 Da
Monoisotopic Mass: 0.7
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]+	206.09241	164.8
[M+Na]+	228.07435	172.2
[M+NH4]+	223.11895	165.2
[M+K]+	244.04829	161.9
[M-H]-	204.07785	153.5
[M+Na-2H]-	226.05980	163.1
[M]+	205.08458	161.3
[M]-	205.08568	161.3

Literature stripe

literature stripe

Patent stripe

patents stripe